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SrTiO{sub 3} (100) sub/BiFeO{sub 3}/CoFe/Ru/CoFe/Cu/CoFe/Ta structure was prepared by a combination of chemical solution deposition and sputtering method, and followed by a systematical investigation for the structural, magnetic and magnetoresistance properties at room temperature (RT) as a function of CoFe and Ru thicknesses. It was revealed that introduction of synthetic CoFe/Ru/CoFe as a pinning layer increased the giant magentoresistance (MR) ratio to 8.3% at RT. This enhancement of MR ratio might be attributed to (i) the increase of pinning field, and (ii) suppression of the influence of the surface roughness of BiFeO{sub 3} by inserting the synthetic CoFe/Ru/CoFe layer.

We investigated systematically the spin torque diode spectrum of a ferromagnetically coupled (FeB/CoFe)/Ru/(CoFe/FeB) synthetic free layer in an MgO-based magnetic tunnel junction. In the spectra, we observed single peaks shifted to higher frequency with increasing the in-plane magnetic fields, as expected from the ferromagnetic resonance of the FeB/CoFe adjacent to the MgO tunnel barrier. On the other hand, under the perpendicular fields, we observed several peaks below 6 GHz and around 10 GHz, which were rather insensitive to the field. These behaviors are different from our simple calculation taking account the interlayer coupling, suggesting that the excitation of magnetizations occurs in a complicated manner for the synthetic free layers.

We use high resolution angle-resolved photoemission to study the electronic structure of the iron based high-temperature superconductors Ba(Fe{sub 1-x}Ru{sub x}){sub 2}As{sub 2} as a function of Ru concentration. We find that substitution of Ru for Fe is isoelectronic, i.e., it does not change the value of the chemical potential. More interestingly, there are no measured, significant changes in the shape of the Fermi surface or in the Fermi velocity over a wide range of substitution levels (0 < x < 0.55). Given that the suppression of the antiferromagnetic and structural phase is associated with the emergence of the superconducting state, Ru substitution must achieve this via a mechanism that does not involve changes of the Fermi surface. We speculate that this mechanism relies on magnetic dilution which leads to the reduction of the effective Stoner enhancement.

The usual classical behaviour of S = 3/2, B-site ordered double perovskites generally results in simple, commensurate magnetic ground states. In contrast, heat capacity and neutron powder diffraction measurements for the S = 3/2 systems La2NaB'O6 (B = Ru, Os) reveal an incommensurate magnetic ground state for La2NaRuO6 and a drastically suppressed ordered moment for La2NaOsO6. This behaviour is attributed to the large monoclinic structural distortions of these double perovskites. The distortions have the effect of weakening the nearest neighbour superexchange interactions, presumably to an energy scale that is comparable to the next nearest neighbour superexchange. The exotic ground states in these materials can then arise from a competition between these two types of antiferromagnetic interactions, providing a novel mechanism for achieving frustration in the double perovskite family.

The microstructure, ordering parameter, and magnetic properties of multilayer [FePt(x)/Os]{sub n} films on glass substrate by dc-magnetron sputtering (with x being thickness in nm; Os with a fixed thickness 5 nm; n being the number of layers) have been studied as a function of the annealing temperatures between 300 and 900 deg. C. The grain size of multilayer films can be controlled by annealing temperature and thickness of the FePt layer with Os space layer. The coercivity as a function of the annealing temperature for samples with n = 1 and pure FePt behaves roughly saturated after annealing above 700 deg. C. However, for samples with n > 4 the value of H{sub c} seems still increasing with increasing annealing temperature between 600 and 900 deg. C, and the ordering parameter decreases with increasing the number of Os layers. Our experimental results are reasonably well to describe the effect of strain-assisted transformation.

The crystallographic and physical properties of TbRuAsO and DyRuAsO at and below room temperature are reported, including full structure refinements from powder X-ray diffraction data and measured electrical and thermal transport properties, magnetic susceptibility, and heat capacity. Both compounds are isostructural to LaFeAsO (ZrCuSiAs-type, P4/nmm) at room temperature. However, DyRuAsO undergoes a symmetry-lowering crystallographic phase transition near 25 K, and adopts an orthorhombic structure (Pmmn) below this temperature. This structural distortion is unlike those observed in the analogous Fe compounds. Magnetic phase transitions are observed in both compounds which suggest antiferromagnetic ordering of lanthanide moments occurs near 7.0 K in TbRuAsO and 10.5 K in DyRuAsO. The nature of the structural distortion as well as thermal conductivity and heat capacity behaviors indicate strong coupling between the magnetism and the lattice. The behaviors of both materials show magnetic ordering of small moments on Ru may occur at low temperatures.

We have investigated the exchange bias of a directly top-pinned Co{sub 40}Fe{sub 40}B{sub 20}/IrMn structure. An exchange bias was realized on the as-deposited samples, in which Co{sub 40}Fe{sub 40}B{sub 20} exhibits a fully amorphous structure. A current-in-plane giant magnetoresistance effect was demonstrated on simple Ru/CoFeB/Cu/CoFeB/IrMn/Ru stacks prior to and after annealing. The amorphous CoFeB layer partially crystallized from the interface with a Cu spacer layer after annealed at 280 deg. C.

High-resolution photoemission illustrates that the band structure of graphene on Ru(0001) exhibits a well-defined splitting. This splitting is largest with the graphene directly on the Ru(0001) substrate, whereas with a chemisorbed oxygen spacer layer between the graphene and the metal substrate, this splitting is considerably reduced. This splitting is attributed to a combination of chemical interactions between graphene and Ru(0001) and to screening of the former by the latter, not spin-orbit coupling.

High-resolution photoemission illustrates that the band structure of graphene on Ru(0001) exhibits a well-defined splitting. This splitting is largest with the graphene directly on the Ru(0001) substrate, whereas with a chemisorbed oxygen spacer layer between the graphene and the metal substrate, this splitting is considerably reduced. This splitting is attributed to a combination of chemical interactions between graphene and Ru(0001) and to screening of the former by the latter, not spin-orbit coupling.

Low-energy electron microscopy (LEEM) reveals a new mode of graphene growth on Ru(0001) in which Ru atoms from a step edge are injected under a growing graphene sheet. The injected atoms can form under-graphene islands, or incorporate into the topmost Ru layer, thereby increasing its density and forming dislocation networks. Density functional calculations imply that Ru islands nucleated between the graphene layer and the substrate are energetically stable; scanning tunneling microscopy (STM) reveals that dislocation networks exist near step edges.

The activities of different types of PtRu catalysts for methanol oxidation are compared. Materials used were: UHV-cleaned PtRu alloys, UHV-evaporated Ru onto Pt(111) as well as adsorbed Ru on Pt(111) prepared with and without additional reduction by hydrogen. Differences in the catalytic activity are observed to depend on the preparation procedure of the catalysts. The dependence of the respective catalytic activities upon the surface composition is reported. UHV-STM data for Pt(111)/Ru show the formation of two- and three-dimensional structures depending on surface coverage. A molecular insight on the electrochemical reaction is given via in situ infrared spectroscopy. Analysis of the data indicates that the most probable rate-determining step is the reaction of adsorbed CO with Ru oxide.

Sample records for fe ru os from the National Library of Energy Beta (NLEBeta)

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A novel Ruthenium-transferrin complex, prepared by reacting iron-free human transferrin dissolved in a sodium acetate solution at pH 7 with ruthenium by heating at about 40/sup 0/C for about 2 hours, and purifying said complex by means of gel chromatography with pH 7 sodium acetate as eluent. The mono- or di-metal complex produced can be used in nuclear medicine in the diagnosis and/or treatment of tumors and abscesses. Comparitive results with Ga-67-citrate, which is the most widely used tumor-localizing agent in nuclear medicine, indicate increased sensitivity of detection and greater tumor uptake with the Ru-transferrin complex.

Abstract Carbon supported metal catalysts (Cu/C, Fe/C, Pd/C, Pt/C, PdFe/C and Ru/C) have been prepared, characterized and tested for vapor-phase hydrodeoxygenation (HDO) of guaiacol (GUA) at atmospheric pressure. Phenol was the major intermediate on all catalysts. Over the noble metal catalysts saturation of the aromatic ring was the major pathway observed at low temperature (250 °C), forming predominantly cyclohexanone and cyclohexanol. Substantial ring opening reaction was observed on Pt/C and Ru/C at higher reaction temperatures (e.g., 350 °C). Base metal catalysts, especially Fe/C, were found to exhibit high HDO activity without ring-saturation or ring-opening with the main products being benzene, phenol along with small amounts of cresol, toluene and trimethylbenzene (TMB). A substantial enhancement in HDO activity was observed on the PdFe/C catalysts. Compared with Fe/C, the yield to oxygen-free aromatic products (i.e., benzene/toluene/TMB) on PdFe/C increased by a factor of four at 350 °C, and by approximately a factor of two (83.2% versus 43.3%) at 450 °C. The enhanced activity of PdFe/C is attributed to the formation of PdFe alloy as evidenced by STEM, EDS and TPR.

Telemedicine can be defined as the delivery of health care and sharing of medical knowledge over a distance using telecommunication. This paper introduced the new technology of RuBee, RuBee fills the drawback of RFID tags which have no network and cannot ... Keywords: RuBee, Telemedicine system, electronic patient record, emergency telemedicine

PtRu/C electrocatalysts (carbon-supported PtRu nanoparticles) were prepared in a single step submitting water/2-propanol mixtures containing Pt(IV) and Ru(III) ions and the carbon support to gamma and electron beam irradiation. The electrocatalysts were ...

We have studied the interactions of water and perfluorodiethyl ether on Ru(100) in order to model the effects of surface structure and humidity on the bonding and decomposition of perfluoroalkyl ether lubricants with metal surfaces. In order to understand the interactions on Ru(100), we have first investigated the interactions of each of these adsorbates alone on the clean surface. The interactions of water with Ru(100) have been studied using both thermal desorption spectroscopy (TDS) and electron energy loss spectroscopy (EELS). From these studies we conclude that a small amount of water dissociates on this surface (5--10% of a monolayer), but water is adsorbed in a predominantly molecular form on this surface with an increasing degree of hydrogen-bonding with increasing coverage. The effects of hydrogen and oxygen coadsorption on the interactions of water with this surface have also been studied using TDS. Finally, the interactions of coadsorbed water and perfluorodiethyl ether on Ru(100) have been investigated using TDS.

The structural and electrochemical properties of RuPt thin-film electrodes fabricated by RF magnetron sputtering have been investigated. Grazing incidence X-ray diffraction data show a transition from a face-centered-cubic (fcc) to hexagonal-cubic-packed (hcp) structure as Ru percentage increases. The transition occurs gradually between 32-58% Ru, which is significantly different from the bulk RuPt phase diagram. The catalytic activity of the thin-film electrodes for methanol oxidation shows a broad peak near 40-60% Ru, consistent with previous reports. The relationship between catalytic activity and film structure is discussed and contrasted with previous investigations.

An efficient way to decorate multiwalled carbon nanotubes with Ru had been developed. In this method, Ru nanoparticles were prepared by water-in-oil reverse microemulsion, and the produced Ru anchored on MWCNTs. Transmission electron microscopy (TEM) result showed that RuO{sub 2} nanoparticles had the uniform size distribution after electrochemical oxidation. Energy dispersive X-rays (EDX) spectra elucidated the presence of ruthenium oxide in the as-prepared composites after electrochemical oxidation. Cyclic voltammetry result demonstrated that a specific capacitance of deposited ruthenium oxide electrode was significantly greater than that of the pristine MWCNTs electrode in the same medium.

Oxygen adsorption onto Ru(10¯10) results in the formation of two ordered overlayers, i.e. a c(2×4)-2O and a (2×1)pg-2O phase, which were analyzed by low-energy electron diffraction (LEED) and density functional theory (DFT) calculation. In addition, the vibrational properties of these overlayers were studied by high-resolution electron loss spectroscopy. In both phases, oxygen occupies the threefold coordinated hcp site along the densely packed rows on an otherwise unreconstructed surface, i.e. the O atoms are attached to two atoms in the first Ru layer Ru(1) and to one Ru atom in the second layer Ru(2), forming zigzag chains along the troughs. While in the low-coverage c(2×4)-O phase, the bond lengths of O to Ru(1) and Ru(2) are 2.08 ?A and 2.03 ?A, respectively, corresponding bond lengths in the high-coverage (2×1)-2O phase are 2.01 ?A and 2.04 ?A(LEED). Although the adsorption energy decreases by 220 meV with O coverage (DFT calculations), we observe experimentally a shortening of the Ru(1)-O bond length with O coverage. This effect could not be reconciled with the present DFT-GGA calculations. The ?(Ru-O) stretch mode is found at 67 meV [c(2×4)-2O] and 64 meV [(2×1)pg-2O]. I.

Security for applications running on mobile devices is important. In this paper we present ExpressOS, a new OS for enabling high-assurance applications to run on commodity mobile devices securely. Our main contributions are a new OS architecture and ... Keywords: automatic theorem proving, microkernel, mobile security, programming by con- tracts

Tetraammine(L)ruthenium(III)-Modified Tetraammine(L)ruthenium(III)-Modified Manganocytochromes c Ji Sun and James F. Wishart Inorg. Chem. 37, 1124-1126 (1998) [Find paper at ACS Publications] or use ACS Articles on Request Abstract: Manganese-substituted horse heart cytochrome c was prepared by replacing the iron in the heme group according to established methods. The resulting manganicytochrome c was subsequently modified at histidine-33 with three ruthenium complexes trans-(NH3)4(L)Ru-His33, where L = NH3, pyridine or isonicotinamide. Proof of correct derivatization was obtained by atomic absorption analysis of manganese and ruthenium, differential pulse voltammetry and electrospray mass spectroscopy. Manganese(II)-to-ruthenium(III) intramolecular electron transfer rates were measured as a function of temperature by pulse radiolysis, using oxidation

Generation of the Ligand Field Excited State of Generation of the Ligand Field Excited State of Tris-(2,2'-bipyridine)-ruthenium(II) through Sequential Two-Photon Capture by [Ru(bpy)3]2+ or Electron Capture by [Ru(bpy)3]3+ David W. Thompson, James F. Wishart, Bruce S. Brunschwig and Norman Sutin J. Phys. Chem. A, 105, 8117-8122 (2001) [Find paper at ACS Publications] Abstract: The relaxation dynamics and product distribution resulting from the decay of high lying excited states generated via sequential two-photon capture by [Ru(bpy)3]2+ or electron capture by [Ru(bpy)3]3+ have been investigated by flash photolysis and pulse radiolysis techniques. In comparison to the decay dynamics for monophotonic excitation, dramatically different relaxation dynamics have been observed. High-power flash excitation yields

Sample records for fe ru os from the National Library of Energy Beta (NLEBeta)

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Modifications in electronic and structural aspects of RuO{sub 2} films electroprecipitated onto Au electrodes induced by changes in the applied potential have been examined in situ in aqueous 0.50 M H{sub 2}SO{sub 4} by Ru K-edge X-ray absorption spectroscopy (XAS). The Fourier transform of the k{sup 3}-weighted extended X-ray absorption fine structure (EXAFS), k{sup 3}x(k), for the film polarized at +1.20V vs RHE is characterized by two shells attributed to Ru-O and Ru-Ru interactions with average distances of 1.94(1) and 3.12(2) {angstrom}, respectively, in agreement with results obtained ex situ for Ru{sup 4+} in hydrous RuO{sub 2} by other groups. In contrast, films in the reduced state, i.e., +0.40 V vs RHE, yielded only a single shell ascribed to a Ru-O interaction at 2.02(1) {angstrom} with no evidence for a distant Ru-Ru shell. The long Ru-O distance is in agreement with that reported earlier for the hydrous Ru{sup 3+} ion [Ru-(OH{sub 2}){sub 6}]{sup 3+} in the solid state. Moreover, the difference between the average Ru-O bond lengths for the reduced and oxidized films is consistent with the difference in the ionic radii of Ru{sup 3+} and Ru{sup 4+}. On this basis it has been suggested that films in the reduced state contain Ru{sup 3+} sites, consistent with the electrochemical results, in a phase with apparently less order beyond the Ru-O coordination sphere than for hydrous RuO{sub 2}.

This paper describes the design and algorithms of FDPR/2 (Feedback Directed Program Restructuring of OS/2 executables), a general-purpose tool that can be used to instrument, profile, and restructure/optimize OS/2 executables for the tel x86 architecture. ...

Astrophysical S-factors of (p, n) reactions on {sup 99}Ru, {sup 100}Ru, {sup 101}Ru, and {sup 102}Ru were derived from the sum of experimental isomeric and ground states cross sections measured in the incident proton energy range of 5-9 MeV. They were compared with Hauser-Feshbach statistical model predictions of the NON-SMOKER code. Good agreement was found in the majority of cases. Reaction rates were derived up to 8.7 GK stellar temperature by combining experiment and theory.

We investigated the Schottky barrier height (SBH) behavior of binary alloy Schottky contacts on n-type zinc oxide (n-ZnO) single crystals. Pt-Ru alloy electrodes were deposited on the Zn-polar and O-polar faces of ZnO substrates by combinatorial ion-beam deposition under identical conditions. The crystal structures of the Pt-Ru alloy film changed from the Pt phase (cubic structure) to the Ru phase (hexagonal structure) in the Pt-Ru alloy phase diagram with decreasing Pt content. The SBH, determined from current-voltage measurements, decreased with decreasing Pt content, indicating that the SBH behavior also followed the Pt-Ru alloy phase diagram. The alloy electrodes on the Zn-polar face showed better Schottky properties than those on the O-polar face. Hard x-ray photoelectron spectroscopy revealed a difference in the interface oxidization of the Pt-Ru alloy: the interface of the O-polar face and Pt-Ru mixed phase with poor crystallinity had a more oxidized layer than that of the Zn-polar face. As a result of this oxidization, the O-polar face, Pt-Ru mixed, and Ru phases showed poor Schottky properties.

IBM-1} calculations for the fission products $^{108,110,112}$Ru have been carried out. The even-even isotopes of Ru can be described as transitional nuclei situated between the U(5) (spherical vibrator) and SO(6) ($\\gamma$-unstable rotor) symmetries of the Interacting Boson Model. At first, a Hamiltonian with only one- and two-body terms has been used. Excitation energies and $B$(E2) ratios of gamma transitions have been calculated. A satisfactory agreement has been obtained, with the exception of the odd-even staggering in the quasi-$\\gamma$ bands of $^{110,112}$Ru. The observed pattern is rather similar to the one for a rigid triaxial rotor. A calculation based on a Hamiltonian with three-body terms was able to remove this discrepancy. The relation between the IBM and the triaxial rotor model was also examined.

IBM-1} calculations for the fission products $^{108,110,112}$Ru have been carried out. The even-even isotopes of Ru can be described as transitional nuclei situated between the U(5) (spherical vibrator) and SO(6) ($\\gamma$-unstable rotor) symmetries of the Interacting Boson Model. At first, a Hamiltonian with only one- and two-body terms has been used. Excitation energies and $B$(E2) ratios of gamma transitions have been calculated. A satisfactory agreement has been obtained, with the exception of the odd-even staggering in the quasi-$\\gamma$ bands of $^{110,112}$Ru. The observed pattern is rather similar to the one for a rigid triaxial rotor. A calculation based on a Hamiltonian with three-body terms was able to remove this discrepancy. The relation between the IBM and the triaxial rotor model was also examined.

Pt-Ru is the favored anode catalyst for the oxidation of methanol in direct methanol fuel cells (DMFCs). The nanoscale Pt-Ru blacks are accepted to be bimetallic alloys as based on their X-ray diffraction patterns. These bulk and surface analyses show that although practical Pt-Ru blacks have diffraction patterns consistent with an alloy assignment, they are primarily a mix of Pt metal and Ru oxides plus some Pt oxides and only small amounts of Ru metal. Thermogravimetric analysis and X-ray photoelectron spectroscopy of as-received Pt-Ru electrocatalysts indicate that DMFC materials contain substantial amounts of hydrous ruthenium oxide (RuO{sub x}H{sub y}). A potential misidentification of nanoscale Pt-Ru blacks arises because RuO{sub x}H{sub y} is amorphous and cannot be discerned by X-ray diffraction. Hydrous ruthenium oxide is a mixed proton and electron conductor and innately expresses Ru-OH speciation. These properties are of key importance in the mechanism of methanol oxidation, in particular, Ru-OH is a critical component of the bifunctional mechanism proposed for direct methanol oxidation in that it is the oxygen-transfer species that oxidatively dissociates {single_bond}C{triple_bond}O fragments from the Pt surface. The catalysts and membrane-electrode assemblies of DMFCs should not be processed at or exposed to temperatures >150 C, as such conditions deleteriously lower the proton conductivity of hydrous ruthenium oxide and thus affect the ability of the Ru component of the electrocatalyst to dissociate water. With this analytical understanding of the true nature of practical nanoscale Pt-Ru electrocatalysts, the authors can now recommend that hydrous ruthenium oxide, rather than Ru metal or anhydrous RuO{sub 2}, is the preferred Ru speciation in these catalysts.

Ruthenium dioxide is an important electrode material for applications in electrocatalysis and power sources. High surface areas are achieved in hydrous RuO{sub 2} precipitates and in mixed ruthenium oxide-titanium oxide, (Ru-Ti)O{sub x}, aerogels ( in which nanoscale domains are networked to form a highly porous structure). The electrochemical properties of (Ru-Ti)O{sub x} aerogels, RuO{sub 2}, and hydrous RuO{sub 2} are examined by direct pressing of sub-milligram quantities of the solid onto the surface of a conductive carbon/wax composite. Voltammetric measurements in acidic electrolyte confirm a pseudocapacitive response for all the RuO{sub x}-based materials. Despite an improvement in BET surface area, as compared with other RuO{sub 2} materials, the (Ru-Ti)O{sub x} aerogel displays a low specific capacitance, which correlated to the high degree of crystallinity of the aerogel. Nanocrystallites of rutile RuO{sub 2}, formed during thermal treatment of the sol-gel Ru/Ti precursors, deleteriously affect the specific capacitance of the material; however, all RuO{sub x} domains in the aerogel are voltammetrically addressable. The influence of proton-donating species on the observed capacitance for the (Ru-Ti)O{sub x} aerogel is evident from the dependence of the voltammetric charge in acidic electrolyte on the potential scan rate.

Last year, the L4.verified project produced a formal, machine-checked Isabelle/HOL proof that the C code of the seL4 OS microkernel correctly implements its abstract implementation. In my presentation I will summarise the proof together with its main ...

Recently, there has been a strong interest in understanding the role of mixed-metal oxides in catalysts used for the production of hydrogen through the splitting of water. Here, we investigate the structural and chemical properties of RuO{sub x}/TiO{sub 2}(110) surfaces employing scanning tunneling microscopy, photoemission, and density functional calculations. Ruthenium oxide forms unique wirelike structures on top of TiO{sub 2}(110) which are very reactive toward water dissociation, being able to cleave O-H bonds at a temperature as low as 200 K. The calculated barrier for the dissociation of water on RuO{sub 2} nanowires is benchmarks for studying this reaction.

Previous investigations of Ni-based catalysts for the steam reforming of hydrocarbons have indicated that the addition of a second metal can reduce the effects of sulfur poisoning. Two systems that have previously shown promise for such applications, NiW and NiRu, are considered here for the steam reforming of ethylene, a key component of biomass derived tars. Monometallic and bimetallic Al{sub 2}O{sub 3}-supported Ni and W catalysts were employed for ethylene steam reforming in the presence and absence of sulfur. The NiW catalysts were less active than Ni in the absence of sulfur, but were more active in the presence of 50 ppm H{sub 2}S. The mechanism for the W-induced improvements in sulfur resistance appears to be different from that for Ru in NiRu. To probe reasons for the sulfur resistance of NiRu, the adsorption of S and C{sub 2}H{sub 4} on several bimetallic NiRu alloy surfaces ranging from 11 to 33 % Ru was studied using density functional theory (DFT). The DFT studies reveal that sulfur adsorption is generally favored on hollow sites containing Ru. Ethylene preferentially adsorbs atop the Ru atom in all the NiRu (111) alloys investigated. By comparing trends across the various bimetallic models considered, sulfur adsorption was observed to be correlated with the density of occupied states near the Fermi level while C{sub 2}H{sub 4} adsorption was correlated with the number of unoccupied states in the d-band. The diverging mechanisms for S and C{sub 2}H{sub 4} adsorption allow for bimetallic surfaces such as NiRu that enhance ethylene binding without accompanying increases in sulfur binding energy. In contrast, bimetallics such as NiSn and NiW appear to decrease the affinity of the surface for both the reagent and the poison.

Bimetallic MgO-supported catalysts were prepared by adsorption of Pt{sub 3}Ru{sub 6}(CO){sub 21}({mu}{sub 3}-H)({mu}-H){sub 3} on porous MgO. Characterization of the supported clusters by infrared (IR) spectroscopy showed that the adsorbed species were still in the form of metal carbonyls. The supported clusters were decarbonylated by treatment in flowing helium at 300 C, as shown by IR and extended X-ray absorption fine structure (EXAFS) data, and the resulting supported PtRu clusters were shown by EXAFS spectroscopy to have metal frames that retained Pt-Ru bonds but were slightly restructured relative to those of the precursor; the average cluster size was almost unchanged as a result of the decarbonylation. These are among the smallest reported bimetallic clusters of group-8 metals. The decarbonylated sample catalyzed ethylene hydrogenation with an activity similar to that reported previously for {gamma}-Al{sub 2}O{sub 3}-supported clusters prepared in nearly the same way and having nearly the same structure. Both samples were also active for n-butane hydrogenolysis, with the MgO-supported catalyst being more active than the {gamma}-Al{sub 2}O{sub 3}-supported catalyst.

Recently, there has been a strong interest in understanding the role of mixed-metal oxides in catalysts used for the production of hydrogen through the splitting of water. Here, we investigate the structural and chemical properties of RuO{sub x}/TiO{sub 2}(110) surfaces employing scanning tunneling microscopy, photoemission, and density functional calculations. Ruthenium oxide forms unique wirelike structures on top of TiO{sub 2}(110) which are very reactive toward water dissociation, being able to cleave O-H bonds at a temperature as low as 200 K. The calculated barrier for the dissociation of water on RuO{sub 2} nanowires is <0.05 eV. The presence of easily formable O vacancies in the ruthenium oxide nanowires facilitates the dissociation of water. Furthermore, RuO{sub x}/TiO{sub 2} (110) surfaces are able to catalyze the production of hydrogen through the water-gas shift reaction (H{sub 2}O + CO {yields} H{sub 2} + CO{sub 2}), exhibiting an activity that compares well with the activity found for extended surfaces of copper typically used as benchmarks for studying this reaction.

We studied the effects on structural and magnetic phase transitions and the emergence of superconductivity in transition metal substituted BaFe{sub 2}As{sub 2}. We grew four series of Ba(Fe{sub 1-x}TM{sub x}){sub 2}As{sub 2} (TM=Ru, Mn, Co+Cr and Co+Mn) and characterized them by crystallographic, magnetic and transport measurements. We also subjected Ba(Fe{sub 1-x}Cr{sub x}){sub 2}As{sub 2} and Ba(Fe{sub 1-x}Co{sub x}){sub 2}As{sub 2} to heat treatment to explore what changes might be induced.

Sample records for fe ru os from the National Library of Energy Beta (NLEBeta)

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The phases R[sub 3]I[sub 3]Ru (R = La, Pr, Gd, Y, Er) and R[sub 3]I[sub 3]Ir (R = Gd, Y) are obtained from the reactions of R, RI[sub 3], and Ru or Ir for 3-4 weeks in sealed Ta tubing at 850-975C, depending on the system. The title phases have been characterized by single-crystal X-ray means at room temperature. The first phase contains quasi-infinite double chains of edge-sharing Pr[sub 6](Ru) octahedra that are sheathed and interbridged by iodine. An evidently continuous distortion of these chains parallels the a/b axial ratio (in the order listed in the first sentence) such that metal octahedra are no longer obvious in Y[sub 3]I[sub 3]Ir; rather chains of trans-edge-sharing square pyramidal Y[sub 4]Ir units bonded base-to-base are more apt. Increased R-R, R-interstitial, and interstitial-interstitial bonding appears to parallel the degree of distortion. Magnetic data for La[sub 3]I[sub 3]Ru and Pr[sub 3]I[sub 3]Ru and the results of extended Hueckel band calculations on Pr[sub 3]I[sub 3]Ru are reported. Polar covalent Pr-Ru interactions and at least a quasi-closed shell configuration are emphasized by the latter.

Elements such as Ru and Sn used as ad-atoms or as alloying elements are known to enhance methanol oxidation reaction (MOR). Ru, both as alloying element as well as upd deposited on Pt/C is widely acknowledged for enhancing MOR. Sn on the other hand is more controversial, with evidence indicating enhancements for MOR when present as upd layer and marginally effective when present as an alloying element. In situ XAS is used to investigate some of these inconsistencies in the electrocatalysis of MOR. Results indicate that alloying Sn with Pt (Pt{sub 3}Sn primary phase) causes partial filling of the Pt 5 d-band vacancies and increase in the Pt-Pt bond distances which is directly opposite to a similar situation with Ru. Upd Sn however does not perturb Pt structurally or electronically. Ru and Sn (both as alloying element and as upd ad-layer) are associated with oxygenated species, the nature and strength of the Ru. and Sn - oxygen interactions are potential dependent. Hence alloying with Sn renders Pt surface unfavorable for methanol adsorption in contrast to alloying with Ru. Both Ru and Sn however promote MOR via their ability to nucleate oxygenated species on their surface at lower potentials as compared to pure Pt.

Exascale systems will present considerable fault-tolerance challenges to applications and system software. These systems are expected to suffer several hard and soft errors per day. Unfortunately, many fault-tolerance methods in use, such as rollback recovery, are unsuitable for many expected errors, for example DRAM failures. As a result, applications will need to address these resilience challenges to more effectively utilize future systems. In this paper, we describe work on a cross-layer application/OS framework to handle uncorrected memory errors. We illustrate the use of this framework through its integration with a new fault-tolerant iterative solver within the Trilinos library, and present initial convergence results.

Operating System (OS) kernels form the bedrock of all system software—they can have the greatest impact on the resilience, extensibility, and security of today’s computing hosts. A single kernel bug can easily wreck the entire system’s integrity and protection. We propose to apply new advances in certified software [86] to the development of a novel OS kernel. Our certified kernel will offer safe and application-specific extensibility [8], provable security properties with information flow control, and accountability and recovery from hardware or application failures. Our certified kernel builds on proof-carrying code concepts [74], where a binary executable includes a rigorous machine-checkable proof that the software is free of bugs with respect to specific requirements. Unlike traditional verification systems, our certified software approach uses an expressive general-purpose meta-logic and machine-checkable proofs to support modular reasoning about sophisticated invariants. The rich meta-logic enables us to verify all kinds of low-level

During the Ru deposition process for granular type perpendicular magnetic recording media, both a reduction in the Ru intermediate layer thickness and lowering of sputtering gas pressure were successfully achieved by focusing on a self-shadowing effect. Oblique-incidence sputtering with a 60 deg. incident angle under an Ar gas pressure of 0.6 Pa yielded (1) columnar Ru grains with a growth direction of 30 deg. from the film normal, (2) c-plane sheet texture by epitaxial growth on the Pt underlayer, and (3) a flat envelope of the surface and a deep gap at grain boundaries. This change in the Ru structure significantly contributes to reducing exchange coupling among magnetic grains, especially in the initial growth region in an overlying granular medium.

The oxidation state of alumina- and titania-supported Ru catalysts has been investigated as a function of reduction temperature, as well as by following the interaction with a methane-oxygen mixture at 773 and 973 K, employing XPS and FTIR techniques. It is found that the chemical behavior of Ru depends strongly on the material on which it is supported. Over Al{sub 2}O{sub 3}, ruthenium is incompletely reduced by treatment with hydrogen at 573 and 823 K, while oxidized Ru species are also detected following exposure of the catalyst to a methane-oxygen mixture at 773 and 973 K. In contrast, over TiO{sub 2}, ruthenium is more easily reduced and is stabilized in its reduced state following hydrogen treatment at 823 K. During treatment with the methane-oxygen mixture, no reoxidation of Ru occurs. The interaction between Ru and TiO{sub 2}, which inhibits the oxidation of ruthenium under conditions of partial oxidation of methane, is related to the unique ability of the Ru/TiO{sub 2} catalyst to promote the direct route of synthesis gas formation.

The transient-field-perturbed angular correlation technique was used with Coulomb excitation in inverse kinematics to perform a systematic measurement of the g factors of the first excited 2{sub 1}{sup +} states in the stable even-A isotopes {sup 96-104}Ru. The measurements have been made relative to one another under matched kinematic conditions and include a measurement of g(2{sub 1}{sup +})=+0.47(3) in {sup 96}Ru.

Density functional theory (DFT)-based relativistic calculations were performed to model the Ru L-edge X-ray absorption near edge structure (XANES) spectra of the hexaammineruthenium complex [Ru(NH{sub 3}){sub 6}]{sup 3+} and 'blue dimer' water oxidation catalyst, cis,cis- [(bpy){sub 2}(H{sub 2}O)Ru{sup III}ORu{sup III}(OH{sub 2})(bpy){sub 2}]{sup 4+} (bpy is 2,2-bipyridine). Two computational approaches were compared: simulations without the core-hole and by modeling of the core-hole within the Z+1 approximation. Good agreement between calculated and experimental XANES spectra is achieved without including the core-hole. Simulations with algorithms beyond the Z+1 approximation were only possible in a framework of the scalar relativistic treatment. Time-dependent DFT (TD-DFT) was used to compute the Ru L-edge spectrum for [Ru(NH{sub 3}){sub 6}]{sup 3+} model compound. Three different core-hole treatments were compared in a real-space full multiple scattering XANES modeling within the Green function formalism (implemented in the FEFF9.5 package) for the [Ru(Mebimpy)(bpm)(H{sub 2}O)]{sup 2+} complex. The latter approaches worked well in cases where spin-orbit treatment of relativistic effects is not required.

A spectroelectrochemical sensor that combines three modes of selectivity in a single device was evaluated in natural and treated water samples using tris-(2,2’-bipyridyl) ruthenium(II) dichloride hexahydrate, [Ru(bpy)3]2+, as a model analyte. The sensor was an optically transparent indium tin oxide (ITO) electrode coated with a thin film of partially sulfonated polystyrene-block-poly(ethylene-ran-butylene)-block-polystyrene (SSEBS). As the potential of the ITO electrode was cycled from +0.7 to +1.3 V, the analyte changed from the colored [Ru(bpy)3]2+ complex to colorless [Ru(bpy)3]3+ complex and the change in absorbance at 450 nm was used as the optical signal for quantification. Calibration curves were obtained for [Ru(bpy)3]2+ in natural well water, river water and treated tap water with detection limits of 108, 139 and 264 nM, respectively. A standard addition method was developed to determine an *unknown* spike addition concentration of [Ru(bpy)3]2+ in well water. The spectroelectrochemical sensor determined the concentration of [Ru(bpy)3]2+ spiked into a sample of Hanford well water to be 0.39*0.03 mM versus the actual concentration of 0.40 mM.

It is widely believed that the perovskite Sr{sub 2}RuO{sub 4} is an unconventional superconductor with broken time reversal symmetry. It has been predicted that superconductors with broken time reversal symmetry should have spontaneously generated supercurrents at edges and domain walls. We have done careful imaging of the magnetic fields above Sr{sub 2}RuO{sub 4} single crystals using scanning Hall bar and SQUID microscopies, and see no evidence for such spontaneously generated supercurrents. We use the results from our magnetic imaging to place upper limits on the spontaneously generated supercurrents at edges and domain walls as a function of domain size. For a single domain, this upper limit is below the predicted signal by two orders of magnitude. We speculate on the causes and implications of the lack of large spontaneous supercurrents in this very interesting superconducting system.

The adsorption of hydrogen on Ru(001) was studied by scanning tunneling microscopy at temperatures around 50 K. Hydrogen was found to adsorb dissociatively forming different ordered structures as a function of coverage. In order of increasing coverage {theta} in monolayers (ML) these were ({radical}3 x {radical}3)r30{sup o} at {theta} = 0.3 ML; (2 x 1) at {theta} = 0.50 ML, (2 x 2)-3H at {theta} = 0.75, and (1 x 1) at {theta} = 1.00. Some of these structures were observed to coexist at intermediate coverage values. Close to saturation of 1 ML, H-vacancies (unoccupied three fold fcc hollow Ru sites) were observed either as single entities or forming transient aggregations. These vacancies diffuse and aggregate to form active sites for the dissociative adsorption of hydrogen.

for for Intramolecular Electron-Transfer Reactions: Tetraammine-ruthenium(ligand) Complexes of Cytochrome c Ji Sun, Chang Su, Martin Meier, Stephan S. Isied, James F. Wishart, and Rudi van Eldik Inorg. Chem. 37, 6129-6135 (1998) [Find paper at ACS Publications] Abstract: The kinetics and thermodynamics of a series of reversible intramolecular electron-transfer reactions in systems of the type trans-(NH3)4(L)Ru(His33)-Cyt c(hh) and trans-(NH3)4(L)Ru(His39)-Cyt c(Ck), where L represents NH3, isonicotinamide, 4-ethylpyridine, 3,5-lutidine and pyridine, were studied as a function of pressure in order to construct the first complete volume profiles for such processes. The volume profiles demonstrate a significant partial molar volume increase associated with the

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The initial stages of water adsorption on the Pd(111) and Ru(0001) surfaces have been investigated experimentally by Scanning Tunneling Microscopy in the temperature range between 40 K and 130 K, and theoretically with Density Functional Theory (DFT) total energy calculations and STM image simulations. Below 125 K water dissociation does not occur at any appreciable rate and only molecular films are formed. Film growth starts by the formation of flat hexamer clusters where the molecules bind to the metal substrate through the O-lone pair while making H-bonds with neighboring molecules. As coverage increases, larger networks of linked hexagons are formed with a honeycomb structure, which requires a fraction of the water molecules to have their molecular plane perpendicular to the metal surface with reduced water-metal interaction. Energy minimization favors the growth of networks with limited width. As additional water molecules adsorb on the surface they attach to the periphery of existing islands, where they interact only weakly with the metal substrate. These molecules hop along the periphery of the clusters at intermediate temperatures. At higher temperatures they bind to the metal to continue the honeycomb growth. The water-Ru interaction is significantly stronger than the water-Pd interaction, which is consistent with the greater degree of hydrogen-bonded network formation and reduced water-metal bonding observed on Pd relative to Ru.

A wide compositional range of unsupported platinum-ruthenium alloy catalysts were prepared by thermal decomposition of the chlorides and chloroacids. The electrocatalysts were characterized by cyclic voltammetry, X-ray diffraction, and energy-dispersive X-ray spectroscopy. The BET surface area of the electrocatalysts increases with increasing Ru content up to {approximately}70 atomic percent (a/o) and then reaches a plateau value. Electrodes fabricated from the electrocatalysts were also evaluated as anodes for methanol electro-oxidation in sulfuric acid over a range of temperatures. Unlike the situation for pure Pt, Ru is inactive for methanol electro-oxidation at 25 C but becomes active at higher temperatures. The peak current observed during an anodic potential scan gradually shifts to more cathodic potentials with increasing temperature. When a comparison is made on the basis of electrode geometric surface area, a {approximately}50 a/o ruthenium electrocatalyst provides the highest activity for methanol electro-oxidation at both 25 and 60C. The methanol electro-oxidation rate is 0.5 orders with respect to methanol concentration (between 0.1 and 2 M) for the Pt-Ru ({approximately}50:50) electrode.

Low temperature scanning tunneling microscopy (STM) and density functional theory (DFT) were used to study the adsorption of water on a Ru(0001) surface covered with half monolayer of oxygen. The oxygen atoms occupy hcp sites in an ordered structure with (2x1) periodicity. DFT predicts that water is weakly bound to the unmodified surface, 86 meV compared to the ~;;200 meV water-water H-bond. Instead, we found that water adsorption causes a shift of half of the oxygen atoms from hcp sites to fcc sites, creating a honeycomb structure where water molecules bind strongly to the exposed Ru atoms. The energy cost of reconstructing the oxygen overlayer, around 230 meV per displaced oxygen atom, is more than compensated by the larger adsorption energy of water on the newly exposed Ru atoms. Water forms hydrogen bonds with the fcc O atoms in a (4x2) superstructure due to alternating orientations of the molecules. Heating to 185 K results in the complete desorption of the water layer, leaving behind the oxygen honeycomb structure, which is metastable relative to the original (2x1). This stable structure is not recovered until after heating to temperatures close to 260K.

We present a combined theoretical and experimental study of water adsorption on Ru(0001) pre-covered with 0.25 monolayers (ML) of oxygen forming a (2 x 2) structure. Several structures were analyzed by means of Density Functional Theory calculations for which STM simulations were performed and compared with experimental data. Up to 0.25 monolayers the molecules bind to the exposed Ru atoms of the 2 x 2 unit cell via the lone pair orbitals. The molecular plane is almost parallel to the surface with its H atoms pointing towards the chemisorbed O atoms of the 2 x 2 unit cell forming hydrogen bonds. The existence of these additional hydrogen bonds increases the adsorption energy of the water molecule to approximately 616 meV, which is {approx}220 meV more stable than on the clean Ru(0001) surface with a similar configuration. The binding energy shows only a weak dependence on water coverage, with a shallow minimum for a row structure at 0.125 ML. This is consistent with the STM experiments that show a tendency of the molecules to form linear rows at intermediate coverage. Our calculations also suggest the possible formation of water dimers near 0.25 ML.

Despite Mac OS X's ease-of-use, Mac users frequently encounter frustrating problems with their systems. And, when they do, they frequently have to resort to online forums (if they can get online), or trek to the Apple Store and wait for a "Genius" to ...

A search for double-beta decay of osmium has been realized for the first time with the help of an ultra-low background HPGe gamma detector at the underground Gran Sasso National Laboratories of the INFN (Italy). After 2741 h of data taking with a 173 g ultra-pure osmium sample limits on double-beta processes in 184Os have been established at the level of T_{1/2} about 10^{14}-10^{17} yr. Possible resonant double-electron captures in 184Os were searched for with a sensitivity T_{1/2} about 10^{16} yr. A half-life limit T_{1/2} > 5.3 10^{19} yr was set for the double-beta decay of 192Os to the first excited level of 192Pt. The radiopurity of the osmium sample has been investigated and radionuclides 137Cs, 185Os and 207Bi were detected in the sample, while activities of 40K, 60Co, 226Ra and 232Th were limited at the mBq/kg level.

Mutant ribulose 1,5-bisphosphate (RuBP) were employed to investigate the partitioning of carbon flow between photosynthesis or photorespiration. Previous functional and structural studies implicate active site Lys329 and Glu48 or R. rubrum RuBp in promoting addition of CO2 to the RuBP-enediol. Two novel O2-dependent side products generated by the K329A and E49Q mutants provided insight into RuBP oxygenase intermediate and roles of Lys329 and Glu48 in oxygenation.

An Integrated Water Treatment Technology Solution for An Integrated Water Treatment Technology Solution for Sustainable Water Resource Management in the Marcellus Shale DE-FE0000833 Final Scientific / Technical Report Report Date: June 30, 2011 Team Members: Altela, Inc. Argonne National Laboratory BLX, Inc. CWM Environmental, Inc. Point of Contact: Matthew Bruff Altela, Inc. Phone: 303-993-1951 Facsimile: 303-993-1955 Email: matthew.bruff@altelainc.com DISCLAIMER: "This report was prepared as an account of work sponsored by an agency of the United States Government. Neither the United States Government nor any agency thereto, nor any of their employees, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus,

Transition Deliverables Transition Deliverables To: Cynthia Quarterman From: Charles Roy, FE-3 Date: 12/04/08 Re: On 12/03/08 Cynthia Quarterman requested a list of major projects with quick starts and job creation from Vic Der. Attached is a hard copy of this document. An electronic version of this document will be submitted to Cynthia Quarterman through the Office of Management. If there are any questions, please contact Charles Roy at 202-586-8977. ,^ (^// Cc~y Major Projects with Quick Starts & Jobs Creation Office of Clean Coal Summary of Projects and Job Creation The following table outlines the near-term possibilities for projects that capture and sequester carbon from coal-based systems. The potential jobs associated with these activities are listed along with likely construction and operation dates. Since the funding

An evaluation of the statistical significance of Rh, Ru, and Hg on DWPF Sludge Receipt and Adjustment Tank (SRAT) cycle catalytic hydrogen generation and process chemistry was conducted by the Savannah River National Laboratory (SRNL) using a full-factorial experimental design. This test design can identify significant interactions between these three species in addition to individual effects. Statistical modeling of data from the Rh-Ru-Hg matrix study has been completed. Preliminary data and conclusions were given in an earlier report. This final report concludes the work on the Rh-Ru-Hg matrix study. Modeling results are summarized below. Rhodium was found to: Promote increased total hydrogen mass; Promote an increase in the maximum hydrogen generation rate; Promote an increase in the hydrogen generation rate shortly after acid addition; Shorten the elapsed time between acid addition and the maximum hydrogen generation rate; Increase formate loss; Inhibit NO{sub 2} and total NO{sub x} off-gas species formation; and Reduce nitrite-to-nitrate conversion. Ruthenium was found to: Promote increased total hydrogen mass; Promote an increase in the maximum hydrogen generation rate; Promote an increase in the hydrogen generation rate in the second half of the SRAT cycle; Promote an increase in total CO{sub 2} generated; Increase formate loss; Promote NO{sub 2} and total NO{sub x} off-gas species formation; and Reduce nitrite-to-nitrate conversion. Mercury was found to: Inhibit total hydrogen mass produced; Promote an increase in total CO{sub 2} generated; Promote NO{sub 2} off-gas species formation; and Inhibit total NO{sub x} off-gas species formation. Results confirmed qualitative observations that Rh was activating before Ru for hydrogen generation. An interaction between Rh and Ru was present in the model for the total hydrogen generated during the SRAT, perhaps because the total combined contributions from two separate episodes of hydrogen generation. The first episode was dominated by Rh and the second by Ru. Consequently, the linear statistical model was asked to explain more than one phenomenon and included more terms. Mercury did not significantly impact hydrogen generated by either Rh or Ru in models in this study (all tests had Hg {ge} 0.5 wt% in total solids), whereas tests in Sludge Batches 3 and 4 (SB3 and SB4) with and without Hg showed a very significant negative impact from adding Hg. The conclusion is that once a small quantity of Hg is present, the primary inhibiting effect of Hg is in place, and hydrogen generation is relatively insensitive to further increases in total Hg. Any secondary Hg effects were difficult to quantify and model. Mercury was found to be statistically significant, however, as an inhibiting factor for hydrogen generation when modeling was based on the logarithm of the hydrogen generation rate. Only limited statistical evidence was found for non-linearity and quadratic dependence of other SRAT process measures, such as formate loss or total NO{sub x} generation, on the three matrix variables. The interaction term for Ru with Hg, however, appeared in models for total CO{sub 2}, total NO{sub 2}, and total moles of nitrogen-derived off-gas species. A single interaction between Ru and Hg during nitrite destruction could explain all three of these effects in the observed responses. Catalytic decomposition of nitrite ion by formic acid produces CO{sub 2} plus either NO or N{sub 2}O. The vast majority of the NO produced is converted to NO{sub 2}, and NO{sub 2} is the major fraction of the total moles of nitrogen in the off-gas species. Future experimental work related to catalytic hydrogen generation control is expected with regard to minimizing formic acid use through alternative reductants as well as in pursuing mesoporous media for sequestering the catalytically active noble metals to inhibit catalytic hydrogen generation. Two alternative stoichiometric acid equations are also under development. A summary document is in draft form that provides an overview of progress made in understanding ca

We report the observation of ferromagnetic resonance (FMR) in SrRuO3 using the time-resolved magnetooptical Kerr effect. The FMR oscillations in the time-domain appear in response to a sudden, optically induced change in the direction of easy-axis anistropy. The high FMR frequency, 250 GHz, and large Gilbert damping parameter, alpha ~;; 1, are consistent with strong spin-orbit coupling. We find that the parameters associated with the magnetization dynamics, including alpha, have a non-monotonic temperature dependence, suggestive of a link to the anomalous Hall effect.

The interaction between carbon and hydrogen atoms on a Ru(0001) surface was studied using scanning tunneling microscopy (STM), Density Functional Theory (DFT) and STM image calculations. Formation of CH species by reaction between adsorbed H and C was observed to occur readily at 100 K. When the coverage of H increased new complexes of the form CH+nH (n = 1, 2 and 3) were observed. These complexes, never observed before, might be precursors for further hydrogenation reactions. DFT analysis reveals that a considerable energy barrier exists for the CH+H {yields} CH{sub 2} reaction.

Scanning tunneling microscopy (STM) and x-ray absorption spectroscopy (XAS) have been used to study the structures produced by water on Ru(0001) at temperatures above 140 K. It was found that while undissociated water layers are metastable below 140 K, heating above this temperature produces drastic transformations whereby a fraction of the water molecules partially dissociate and form mixed H{sub 2}O-OH structures. XPS and XAS revealed the presence of hydroxyl groups with their O-H bond essentially parallel to the surface. STM images show that the mixed H{sub 2}O-OH structures consist of long narrow stripes aligned with the three crystallographic directions perpendicular to the close-packed atomic rows of the Ru(0001) substrate. The internal structure of the stripes is a honeycomb network of H-bonded water and hydroxyl species. We found that the metastable low temperature molecular phase can also be converted to a mixed H{sub 2}O-OH phase through excitation by the tunneling electrons when their energy is 0.5 eV or higher above the Fermi level. Structural models based on the STM images were used for Density Functional Theory optimizations of the stripe geometry. The optimized geometry was then utilized to calculate STM images for comparison with the experiment.

Scanning tunneling microscopy (STM) and x-ray absorption spectroscopy (XAS) have been used to study the structures produced by water on Ru(0001) at temperatures above 140 K. It was found that while undissociated water layers are metastable below 140 K, heating above this temperature produces drastic transformations, whereby a fraction of the water molecules partially dissociate and form mixed H{sub 2}O-OH structures. X-ray photoelectron spectroscopy and XAS revealed the presence of hydroxyl groups with their O-H bond essentially parallel to the surface. STM images show that the mixed H{sub 2}O-OH structures consist of long narrow stripes aligned with the three crystallographic directions perpendicular to the close-packed atomic rows of the Ru(0001) substrate. The internal structure of the stripes is a honeycomb network of H-bonded water and hydroxyl species. We found that the metastable low temperature molecular phase can also be converted to a mixed H{sub 2}O-OH phase through excitation by the tunneling electrons when their energy is 0.5 eV or higher above the Fermi level. Structural models based on the STM images were used for density functional theory optimizations of the stripe geometry. The optimized geometry was then utilized to calculate STM images for comparison with the experiment.

We have grown and studied high quality SrRuO{sub 3} films grown by MBE as well as PLD. By changing the oxygen activity during deposition we were able to make SrRuO{sub 3} samples that were stoichiometric (low oxygen activity) or with ruthenium vacancies (high oxygen activity). Samples with strontium vacancies were found impossible to produce since the ruthenium would precipitate out as RuO{sub 2}. The volume of the unit cell of SrRuO{sub 3} becomes larger as more ruthenium vacancies are introduced. The residual resistivity ratio (RRR) and room temperature resistivity were found to systematically depend on the volume of the unit cell and therefore on the amount of ruthenium vacancies. The RRR varied from {approx}30 for stoichiometric samples to less than two for samples that were very ruthenium poor. The room temperature resistivity varied from 190 {micro}{Omega} cm for stoichoimetric samples to over 300 {micro}{Omega} cm for very ruthenium poor samples. UPS spectra show a shift of weight from the coherent peak to the incoherent peak around the Fermi level when samples have more ruthenium vacancies. Core level XPS spectra of the ruthenium 3d lines show a strong screened part in the case of stoichiometric samples. This screened part disappears when ruthenium vacancies are introduced. Both the UPS and the XPS results are consistent with the view that correlation increases as the amount of ruthenium vacancies increase.

The supported clusters Pt-Ru/{gamma}-Al{sub 2}O{sub 3} were prepared by adsorption of the bimetallic precursor Pt{sub 3}Ru{sub 6}(Cu){sub 21}({mu}{sub 3}-H)({mu}-H){sub 3} from CH{sub 2}Cl{sub 2} solution onto {gamma}-Al{sub 2}O{sub 3} followed by decarbonylation in He at 300 C. The resultant supported clusters were characterized by infrared (IR) and extended X-ray absorption fine structure (EXAFS) spectroscopies and as catalysts for ethylene hydrogenation and n-butane hydrogenolysis. After adsorption, the {nu}{sub CO} peaks characterizing the precursor shifted to lower wavenumbers, and some of the hydroxyl bands of the support disappeared or changed, indicating that the CO ligands of the precursor interacted with support hydroxyl groups. The EXAFS results show that the metal core of the precursor remained essentially unchanged upon adsorption, but there were distortions of the metal core indicated by changes in the metal-metal distances. After decarbonylation of the supported clusters, the EXAFS data indicated that Pt and Ru atoms interacted with support oxygen atoms and that about half of the Pt-Ru bonds were maintained, with the composition of the metal frame remaining almost unchanged. The decarbonylated supported bimetallic clusters reported here are the first having essentially the same metal core composition as that of a precursor metal carbonyl, and they appear to be the best-defined supported bimetallic clusters. The material was found to be an active catalyst for ethylene hydrogenation and n-butane hydrogenolysis under conditions mild enough to prevent substantial cluster disruption.

The ability to confine photoactive catalysts within metal-organic framework (MOF) materials affords the opportunity to expand the functional diversity of these materials into solar based applications. Here, the confinement of Ru(II)tris(2,2'-bipyridine) (RuBpy) by a MOF material derived from Zn(II) ions and trimesic acid (hereafter, USF2) is examined. Although the encapsulated RuBpy could not be crystallographically resolved within the MOF framework, the photophysical properties of the complex are characteristic of confinement including extended triplet metal-to-ligand ({sup 3}MLCT) lifetime ({tau}{sub ethanol} = 614 ns and {tau}{sub USF2} = 1.2 {micro}s at 25 C) and a slight hypsochromic shift in the steady-state emission spectrum relative to RuBpy in ethanol. The extended lifetime is attributed to a deactivation of a nonradiative {sup 3}dd that is antibonding with respect to the Ru(II)-bipyridine due to a confined molecular environment. These results represent one of the first examples of RuBpy encapsulation and photophysical characterization within a polyhedral MOF material.

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The dielectric constant depending on the film thickness for SrTiO{sub 3} films formed on Ru was investigated after an annealing step at 600 deg. C, which shows that the dielectric constant increased abruptly with the film thickness up to 20 nm and then increased slightly, remaining relatively constant at a value of about 65. The abrupt increase was due to the crystallinity of SrTiO{sub 3} films. On the other hand, the slight increase was related to the existence of nonstoichiometric region near the interface of SrTiO{sub 3} film and Ru, which was intermixed with SrTiO{sub 3} and Ti-O phases having an equivalent oxide thickness over 0.32 nm.

We use the time-resolved magneto-optical Kerr effect (TRMOKE) to measure the local temperature and heat flow dynamics in ferromagnetic SrRuO3 thin films. After heating by a pump pulse, the film temperature decays exponentially, indicating that the heat flow out of the film is limited by the film/substrate interface. We show that this behavior is consistent with an effective boundary resistance resulting from disequilibrium between the spin and phonon temperatures in the film.

We propose a dynamic aspect-oriented system for operating system (OS) kernels written in the C language. Unlike other similar systems, our system named KLASY allows the users to pointcut not only function calls but also member accesses to structures. ... Keywords: Linux, aspect-oriented programming, dynamic AOP, operating system, profiling and debugging

PJM PJM Interconnection-Pete Langbein Prepared for the National Forum on the National Action Plan on Demand Response: Program Design and Implementation Working Group AUTHOR: Dan Delurey-Association for Demand Response and Smart Grid National Forum of the National Action Plan on Demand Response Case Study Interview: PJM Interconnection-Pete Langbein was developed to fulfill part of the Implementation Proposal for The National Action Plan on Demand Response, a report to Congress jointly issued by the U.S. Department of Energy (DOE) and the Federal Energy Regulatory Commission (FERC) in June 2011. Part of that implementation proposal called for a "National Forum" on demand response to be conducted by DOE and FERC. Given the rapid development of the demand response industry, DOE and FERC decided

An Assessment of Analytical An Assessment of Analytical Capabilities, Services, and Tools for Demand Response Prepared for the National Forum on the National Action Plan on Demand Response: Estimation Tools and Methods Working Group AUTHORS: Andrew Satchwell and Charles Goldman-Lawrence Berkeley National Laboratory Hossein Haeri and Mark Lesiw-The Cadmus Group, Inc. National Forum of the National Action Plan on Demand Response An Assessment of Analytical Capabilities, Services, and Tools for Demand Response was developed to fulfill part of the Implementation Proposal for The National Action Plan on Demand Response, a report to Congress jointly issued by the U.S. Department of Energy (DOE) and the Federal Energy Regulatory Commission (FERC) in June 2011. Part of that implementation proposal called for a "National Forum" on demand response to be

Southern Southern California Edison-Paul Kasick Prepared for the National Forum on the National Action Plan on Demand Response: Program Design and Implementation Working Group AUTHOR: Dan Delurey-Association for Demand Response and Smart Grid National Forum of the National Action Plan on Demand Response Case Study Interview: Southern California Edison-Paul Kasick was developed to fulfill part of the Implementation Proposal for The National Action Plan on Demand Response, a report to Congress jointly issued by the U.S. Department of Energy (DOE) and the Federal Energy Regulatory Commission (FERC) in June 2011. Part of that implementation proposal called for a "National Forum" on demand response to be conducted by DOE and FERC. Given the rapid development of the demand response industry, DOE and FERC decided

Reliant Reliant Energy-Bill Harmon Prepared for the National Forum on the National Action Plan on Demand Response: Program Design and Implementation Working Group AUTHOR: Dan Delurey-Association for Demand Response and Smart Grid National Forum of the National Action Plan on Demand Response Case Study Interview: Reliant Energy-Bill Harmon was developed to fulfill part of the Implementation Proposal for The National Action Plan on Demand Response, a report to Congress jointly issued by the U.S. Department of Energy (DOE) and the Federal Energy Regulatory Commission (FERC) in June 2011. Part of that implementation proposal called for a "National Forum" on demand response to be conducted by DOE and FERC. Given the rapid development of the demand response industry, DOE and FERC decided

A Framework for Evaluating the A Framework for Evaluating the Cost-Effectiveness of Demand Response Prepared for the National Forum on the National Action Plan on Demand Response: Cost-effectiveness Working Group AUTHORS: Tim Woolf & Erin Malone-Synapse Energy Economics Lisa Schwartz & John Shenot-Regulatory Assistance Project National Forum of the National Action Plan on Demand Response A Framework for Evaluating the Cost-Effectiveness of Demand Response was developed to fulfill part of the Implementation Proposal for The National Action Plan on Demand Response, a report to Congress jointly issued by the U.S. Department of Energy (DOE) and the Federal Energy Regulatory Commission (FERC) in June 2011. Part of that implementation proposal called for a "National Forum" on demand response to be

Progress Progress Energy Carolinas-Bob Donaldson Prepared for the National Forum on the National Action Plan on Demand Response: Program Design and Implementation Working Group AUTHOR: Dan Delurey-Association for Demand Response and Smart Grid National Forum of the National Action Plan on Demand Response Case Study Interview: Progress Energy Carolinas-Bob Donaldson was developed to fulfill part of the Implementation Proposal for The National Action Plan on Demand Response, a report to Congress jointly issued by the U.S. Department of Energy (DOE) and the Federal Energy Regulatory Commission (FERC) in June 2011. Part of that implementation proposal called for a "National Forum" on demand response to be conducted by DOE and FERC. Given the rapid development of the demand response industry, DOE and FERC decided

Con Con Edison-Col Smart Prepared for the National Forum on the National Action Plan on Demand Response: Program Design and Implementation Working Group AUTHOR: Dan Delurey-Association for Demand Response and Smart Grid National Forum of the National Action Plan on Demand Response Case Study Interview: Con Edison-Col Smart was developed to fulfill part of the Implementation Proposal for The National Action Plan on Demand Response, a report to Congress jointly issued by the U.S. Department of Energy (DOE) and the Federal Energy Regulatory Commission (FERC) in June 2011. Part of that implementation proposal called for a "National Forum" on demand response to be conducted by DOE and FERC. Given the rapid development of the demand response industry, DOE and FERC decided

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Gulf Gulf Power-David Eggart Prepared for the National Forum on the National Action Plan on Demand Response: Program Design and Implementation Working Group AUTHOR: Dan Delurey-Association for Demand Response and Smart Grid National Forum of the National Action Plan on Demand Response Case Study Interview: Gulf Power-David Eggart was developed to fulfill part of the Implementation Proposal for The National Action Plan on Demand Response, a report to Congress jointly issued by the U.S. Department of Energy (DOE) and the Federal Energy Regulatory Commission (FERC) in June 2011. Part of that implementation proposal called for a "National Forum" on demand response to be conducted by DOE and FERC. Given the rapid development of the demand response industry, DOE and FERC decided

An Assessment of Analytical An Assessment of Analytical Capabilities, Services, and Tools for Demand Response Prepared for the National Forum on the National Action Plan on Demand Response: Estimation Tools and Methods Working Group AUTHORS: Andrew Satchwell and Charles Goldman-Lawrence Berkeley National Laboratory Hossein Haeri and Mark Lesiw-The Cadmus Group, Inc. National Forum of the National Action Plan on Demand Response An Assessment of Analytical Capabilities, Services, and Tools for Demand Response was developed to fulfill part of the Implementation Proposal for The National Action Plan on Demand Response, a report to Congress jointly issued by the U.S. Department of Energy (DOE) and the Federal Energy Regulatory Commission (FERC) in June 2011. Part of that implementation proposal called for a "National Forum" on demand response to be

Fischer-Tropsch synthesis is a process in which CO and H{sub 2} react to give predominantly liquid hydrocarbons. The reaction can be considered a special type of polymerization in which the monomer is produced in situ, and chain growth occurs by a sequence of independently repeated additions of the monomer to the growing chain. A investigation has been conducted to study the CO hydrogenation reaction in order to better understand catalyst deactivation and the elementary surface processes involved in chain growth. Isotopic tracers are used in conjunction with transient-response techniques in this study of Fischer-Tropsch synthesis over Ru/TiO{sub 2} catalysts. Experiments are conducted at a total pressure of 1 atmosphere, reaction temperatures of 453--498 K and D{sub 2}/CO (or H{sub 2}/CO) ratios of 2--5. Synthesis products are analyzed by gas chromatography or isotope-ratio gas chromatography-mass spectrometry. Rate constants for chain initiation, propagation and termination are evaluated under steady-state reaction conditions by using transients in isotopic composition. The activation energy for chain termination is much higher than that for propagation, accounting for the observed decrease in the chain growth parameter are also estimated. Coverages by reaction intermediates are also estimated. When small amounts of {sup 12}C-labelled ethylene are added to {sup 13}CO/H{sub 2} synthesis gas, ethylene acts as the sole chain initiator. Ethylene-derived carbon also accounts for 45% of the C{sub 1} monomer pool. 102 refs., 29 figs., 11 tabs.

Fischer-Tropsch synthesis is a process in which CO and H{sub 2} react to give predominantly liquid hydrocarbons. The reaction can be considered a special type of polymerization in which the monomer is produced in situ, and chain growth occurs by a sequence of independently repeated additions of the monomer to the growing chain. A investigation has been conducted to study the CO hydrogenation reaction in order to better understand catalyst deactivation and the elementary surface processes involved in chain growth. Isotopic tracers are used in conjunction with transient-response techniques in this study of Fischer-Tropsch synthesis over Ru/TiO{sub 2} catalysts. Experiments are conducted at a total pressure of 1 atmosphere, reaction temperatures of 453--498 K and D{sub 2}/CO (or H{sub 2}/CO) ratios of 2--5. Synthesis products are analyzed by gas chromatography or isotope-ratio gas chromatography-mass spectrometry. Rate constants for chain initiation, propagation and termination are evaluated under steady-state reaction conditions by using transients in isotopic composition. The activation energy for chain termination is much higher than that for propagation, accounting for the observed decrease in the chain growth parameter are also estimated. Coverages by reaction intermediates are also estimated. When small amounts of {sup 12}C-labelled ethylene are added to {sup 13}CO/H{sub 2} synthesis gas, ethylene acts as the sole chain initiator. Ethylene-derived carbon also accounts for 45% of the C{sub 1} monomer pool. 102 refs., 29 figs., 11 tabs.

Nanocrystalline electrocatalytically active materials of chemical composition Ru{sub 1-x}Zn{sub x}O{sub 2} (0 < x < 0.3) were synthesized by freeze-drying technique. The diffraction patterns of the prepared samples corresponded to single-phase rutile type oxides.Local structure of the Ru{sub 1-x}Zn{sub x}O{sub 2} based on refinement of Ru K and Zn K edge EXAFS functions shows clustering of the Zn ions in the blocks with ilmenite structure intergrowing with Ru-rich rutile blocks. Ru{sub 1-x}Zn{sub x}O{sub 2} oxides are selective catalysts for anodic oxygen evolution. The selectivity toward oxygen evolution in the presence of chlorides is affected by the actual Zn content and can be ascribed to structural hindrance of the formation of the surface peroxo group based active sites for chlorine evolution. The selectivity toward oxygen evolution in presence of chlorides is accompanied by the drop of the total activity, which gets more pronounced with increasing Zn content.

Coupled Fe(II)-Fe(III) Electron and Atom Exchange as a Mechanism for Fe Isotope Fractionation I C E . R O D E N , A N D B R I A N L . B E A R D Department of Geology and Geophysics, University (DIR) is an important pathway for carbon oxidation in anoxic sediments, and iron isotopes may

CaRuO{sub 3}-CaTiO{sub 3} ceramic composites were prepared by sintering for short times for potential applications in the areas of electronic ceramics. Scanning electron microscopy and energy dispersive X-ray analysis showed two separate phases, CaRuO{sub 3} and CaTiO{sub 3} in the composite. Conductivity data, measured by the four-probe method, showed that the composites have high electrical conductivity when x {>=} 0.19 in xCaRuO{sub 3}-(1 - x)CaTiO{sub 3} composites. Furthermore, the nanoparticle of calcium ruthenate prepared by reverse micelle synthesis was used to be conductive agent for the composite. The result shows that the use of nano-sized calcium ruthenate enabled higher electrical conductivity to be maintained down to x = 0.09.

A combination of spectroscopic probes was used to develop a detailed experimental description of the transport and magnetic properties of superlattices composed of the paramagnetic metal CaRuO{sub 3} and the antiferromagnetic insulator CaMnO{sub 3}. The charge-carrier density and Ru valence state in the superlattices are not significantly different from those of bulk CaRuO{sub 3}. The small charge transfer across the interface implied by these observations confirms predictions derived from density-functional calculations. However, a ferromagnetic polarization due to canted Mn spins penetrates 3-4 unit cells into CaMnO{sub 3}, far exceeding the corresponding predictions. The discrepancy may indicate the formation of magnetic polarons at the interface.

Electrooxidation kinetics of mixtures of carbon monoxide and hydrogen were studied on well-characterized surfaces of Pt and alloys of PtRu and PtSn in 0.5 M H{sub 2}SO{sub 4} at room temperature and 60 C. The alloy electrode surfaces were prepared in UHV by sputter/anneal cycles and their surface compositions were determined via low energy ion scattering. Subsequently, the electrodes were transferred contamination-free from UHV into a rotating disk electrode (RDE) configuration in a conventional electrochemical cell and their activity was measured both by CO stripping voltammetry and under the continuous flow of CO and CO/H{sub 2} gas mixtures in RDE-experiments. The overpotential for the continuous oxidation of pure CO on PtSn electrodes with a Sn surface composition of x{sub Sn,s} {approximately} 0.2 is significantly smaller than on PtRu alloys (x{sub Ru,s} {approximately} 0.5) and on pure Pt. The reaction order with respect to solution phase CO is negative on PtRu alloys due to the competition between OH{sub ads} nucleation and CO adsorption on Ru surface atoms. Owing to the lack of CO adsorption on OH{sub ads}-providing Sn surface atoms, the reaction order with respect to CO is positive on PtSn electrodes. Therefore, the activity enhancement of PtSn electrodes versus PtRu and Pt electrodes is most pronounced in pure CO and decreases with the CO concentration in CO/N{sub 2} and CO/H{sub 2} mixtures.

A photoconducting device fabricated from Fe-doped, semi-insulating InP crystals exhibits an exponential decay transient with decay time inversely related to Fe concentration. Photoconductive gain as high as 5 is demonstrated in photoconducting devices with AuGe and AuSn contacts. Response times from 150 to 1000 picoseconds can be achieved.

Role of H spillover to the silica support was studied using chemisorption; a strongly bound component of spilled over H was found in the silica support which interfered with accurate measurements of active metal sites via volumetric strong H chemisorption. The volumetric chemisorption technique was modified so that measurement times were reduced from 12--36 h to 1 h. The active Ru surface was characterized means of changes in proton spin counts and NMR Knight shifts vs alkali loading. Na, K blocked the active surface of Ru metal, but Cs was pushed off by H chemisorption. The alkali promoters restricted H mobility on both metal surface and at the metal support interfaces; this is consistent with effects on Fischer-Tropsch synthesis. {sup 1}H NMR was used to study the effect of the active metal and promoter on support hydroxyl groups. The OH group density in the silica support decreased with metal and/or promoter loading, but not on a one-to-one basis; the exchange efficiency of the hydroxyls decreased with atomic size of the alkali metal. An additional downfield proton resonance was detected which was assigned to the alkali hydroxide species in the support.

An Mg-Fe alloy system prepared through mechanical alloying (MA) was structurally analyzed. MA can produce single-phase bcc alloys using Mg concentrations up to about 15 mol %. Use of conventional average structure analysis and x-ray pair-distribution function method enabled the long-range and short-range order structures of the Mg-Fe alloys to be bridged. The substituted Mg atoms were randomly arranged in the low-Mg composition but started to have an order structure. The partially ordered Mg-Fe alloy undergoes an austenitic (cubic) to martensitic (orthorhombic) phase change, as increasing Mg composition.

,* and Syun-Ru Yeh* Department of Physiology and Biophysics, Albert Einstein College of Medicine, Bronx, New chain is unfolded. The Met80 ligand can be replaced either by a solvent water molecule, leading to a water-His bound state (HW), or by His26/33, leading to a bis-His state (HH).1,2,4,7 Under acidic

Excited State Dynamics of Two New Ru(II) Cyclometallated Dyes: Relation to Cells for Solar Energy, are reported. Related complexes have been used as efficient dyes in dye- sensitized solar cells (DSSCs of ruthenium dyes used in DSSCs to lower energies, it is evident from this work, that for cyclometallated phpy

Epitaxial ruthenium dioxide (RuO{sub 2})/chromium dioxide(CrO{sub 2}) thin film heterostructures have been grown on (100)-TiO{sub 2} substrates by chemical vapor deposition. Both current-in-plane (CIP) and current-perpendicular-to-plane (CPP) giant magnetoresistive stacks were fabricated with either Co or another epitaxial CrO{sub 2} layer as the top electrode. The Cr{sub 2}O{sub 3} barrier, which forms naturally on CrO{sub 2} surfaces, is no longer present after the RuO{sub 2} deposition, resulting in a highly conductive interface that has a resistance at least four orders of magnitude lower. However, only very limited magnetoresistance (MR) was observed. Such low MR is due to the appearance of a chemically and magnetically disordered layer at the CrO{sub 2} and RuO{sub 2} interfaces when Cr{sub 2}O{sub 3} is transformed into rutile structures during its intermixing with RuO{sub 2}.

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??Four distinct Fisher-Tropsch catalysts were prepared through the incipient wetness technique. These catalysts were Fe-Zn-Ru/alumina, Fe-Zn-Ru/K/alumina, Fe-Zn-Ru/silica, and Fe-Zn-Ru/K/silica. The physical characterization of the catalysts… (more)

(1) (1) Office of Fossil Energy Energy Conservation Plan The Office of Fossil Energy (FE) strongly supports the implementation of strategies to reduce energy consumption in the Headquarters buildings. FE engaged its employees by sending an office-wide email soliciting input for this plan; the ideas were then compiled into this document. The focus of this plan is on how FE employees can change their behavior to reduce energy consumption. This plan purposefully excludes measures that would require any significant capital investment. The measures outlined below in each category can be implemented without much effort and with minimal cost and will reduce the energy used by Fossil Energy employees in the Forrestal and Germantown buildings. FE recognizes that transparency is a key element of a successful energy conservation

its inception as part of DOE in 1977, FE's its inception as part of DOE in 1977, FE's R&D mission has continued to evolve to reflect the nation's key energy supply, security and environmental needs. Coal represents 93 percent of total U.S. fossil fuel reserves and is the largest single source (45 percent) of electricity generation, both currently and projected for the foreseeable future. It also is among the most carbon- intensive energy resources. Continuing the legacy of previous successes in the Clean Coal Technology Development Program, FE R&D today is focusing on ways to continue using this vital source of energy while minimizing atmospheric CO 2 emissions. Through its Clean Coal Research Program, FE is in the forefront of global efforts to develop and

We report time-resolved Kerr effect measurements of magnetization dynamics in ferromagnetic SrRuO{sub 3}. We observe that the demagnetization time slows substantially at temperatures within 15K of the Curie temperature, which is {approx} 150K. We analyze the data with a phenomenological model that relates the demagnetization time to the spin flip time. In agreement with our observations the model yields a demagnetization time that is inversely proportional to T-T{sub c}. We also make a direct comparison of the spin flip rate and the Gilbert damping coefficient showing that their ratio very close to k{sub B}T{sub c}, indicating a common origin for these phenomena.

Since its inception in Fiscal Year 2003 the US Office of Fossil Energy (FE) Hydrogen from Coal Program has sponsored more than 60 projects and made advances in the science of separating out pure hydrogen from syngas produced through coal gasification. The Program is focusing on advanced hydrogen separation technologies, which include membranes, and combining the WGS reaction and hydrogen separation in a single operation known as process intensification. The article explains the technologies and describes some key FE membrane projects. More details are available from http://www.fossil.energy.gov. 1 fig.

October 9, 2009 The Rocky Mountain Oilfield Testing Center (RMOTC) is providing the following information on local activities: Geothermal Research Initiative at RMOTC (Casper, WY) - The Rocky Mountain Oilfield Testing Center (RMOTC) announces its involvement in a new collaboration between the U.S. Department of Energy's offices of Fossil Energy (FE) and Energy Efficiency and Renewable Energy's (EERE) to demonstrate low-temperature geothermal electrical power generation systems using oilfield fluids produced at the Naval Petroleum Reserve #3 (NPR-3) near Midwest, Wyo. RMOTC, part of FE's Office of Oil and Natural Gas, will work directly with EERE's Geothermal

In this work we studied the magnetic and structural properties of Fe{sub 1-x}Ti{sub x}(x=0, 0.02, 0.05, 0.07) thin films prepared with dc-magnetron sputtering. It was found that the inter-atomic spacing increases as the amount of Ti is increased indicating that Ti is getting dissolved substitutionally in Fe lattice. We found that the addition of 5% Ti is best suited for its usage in Fe-Ti-N alloys.

We present x-ray diffraction experiments and multiple-scattering calculations on the structure and transport properties of a Fe/MgO/Fe(001) magnetic tunnel junction (MTJ). Coherent growth of the top Fe electrode on the MgO spacer is observed only for Fe deposition in ambient oxygen atmosphere leading to a coherent and symmetric MTJ structure characterized by FeO layers at both Fe/MgO interfaces. This goes in parallel with calculations indicating large positive tunnel magnetoresistance (TMR) values in such symmetric junctions. The results have important implications for achieving giant TMR values.

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FE annual Report July 2004 Bioprocessing of Fossil Fuels Abhijeet Borole, Life Sciences Division The overall objective of this research program is to develop novel technologies for processing fossil fuels energy-efficient. Processes based on oxidative as well as reductive reactions are being investigated

Anoxygenic phototrophic Fe(II) oxidation is usually considered to be a lithoautotrophic metabolism that contributes to primary production in Fe-based ecosystems. In this study, we employed Rhodobacter capsulatus SB1003 as a model organism to test the hypothesis that phototrophic Fe(II) oxidation can be coupled to organic carbon acquisition. R. capsulatus SB1003 oxidized Fe(II) under anoxic conditions in a light-dependent manner, but it failed to grow lithoautotrophically on soluble Fe(II). When the strain was provided with Fe(II)-citrate, however, growth was observed that was dependent upon microbially catalyzed Fe(II) oxidation, resulting in the formation of Fe(III)-citrate. Subsequent photochemical breakdown of Fe(III)-citrate yielded acetoacetic acid that supported growth in the light but not the dark. The deletion of genes (RRC00247 and RRC00248) that encode homologs of atoA and atoD, required for acetoacetic acid utilization, severely impaired the ability of R. capsulatus SB1003 to grow on Fe(II)-citrate. The growth yield achieved by R. capsulatus SB1003 in the presence of citrate cannot be explained by lithoautotrophic growth on Fe(II) enabled by indirect effects of the ligand [such as altering the thermodynamics of Fe(II) oxidation or preventing cell encrustation]. Together, these results demonstrate that R. capsulatus SB1003 grows photoheterotrophically on Fe(II)-citrate. Nitrilotriacetic acid also supported light-dependent growth on Fe(II), suggesting that Fe(II) oxidation may be a general mechanism whereby some Fe(II)-oxidizing bacteria mine otherwise inaccessible organic carbon sources.

The electronic structures of a series of Fe(I)-Fe(I) model complexes of the di-iron subsite of[Fe]-hydrogenase,[(mu- PDT)Fe-2(CO)(4)(CN)(2)](2-) (1),[Fe- 2(CO)(4)(MeSCH2C(Me)(CH2S)(2))(CN)(2)](2-) (II),[Fe- 2(CO)(4)(PhCH2SCH2C(Me)-(CH2S)(2))(CN)(2)](2-) (III),[Fe- 2(CO)(4)(PhCH2SCH2C(Me) (CH2S)(2))(CN)](-) (IV), and[Fe- 2(CO)(4)(MeSCH2C(Me)(CH2S)(2))(CN)](-) (V), were investigated in the gas phase using photodetachment photoelectron spectroscopy. The adiabatic electron detachment energy (ADE) of each species and the intramolecular Coulomb repulsion for the doubly charged species were obtained. The ADEs correspond to the intrinsic redox potentials (in vacuo) of reactions involving the Fe(I)-Fe(I)/Fe(I)-Fe(II) couples in these compounds. The photoelectron spectra were understood and qualitatively assigned by comparing with that of Fe-2(CO)(6)S- 2, which has been well studied previously and exhibits similar valence spectral features as I-V. A''normal level scheme'' is suggested for the electronic structure of these low spin di- iron compounds, in which all occupied 3d levels lie above all occupied ligand levels. We also observed subtle differences in the electronic structures of the five di-iron complexes due to the slightly different ligand environments.

Petroleum Reserves News Petroleum Reserves News FE Petroleum Reserves News RSS April 10, 2013 President Requests $638.0 Million for Fossil Energy Programs President Obama's FY 2014 budget seeks $638.0 million for the Office of Fossil Energy (FE) to advance technologies related to the reliable, efficient, affordable and environmentally sound use of fossil fuels as well as manage the Strategic Petroleum Reserve and Northeast Home Heating Oil Reserve to provide strategic and economic security against disruptions in U.S. oil supplies. November 9, 2012 Energy Department Provides Additional Emergency Fuel Loan to Department of Defense as Part of Hurricane Sandy and Nor'easter Recovery As part of the government-wide response and recovery effort for Hurricane Sandy and the Nor'easter, the Energy Department is providing the

Magnetization as a function of temperature calculated with Monte Carlo techniques is compared to experimental results of Fe stripes grown on vicinal Cu(111) surfaces. The stripes are step decorations grown with molecular beam epitaxy (MBE), are 1-2 monolayers thick, and display perpendicular magnetization. The atomic parameters are determined from fully relativistic electronic structure calculations. The moments are found to be 2.57 {micro}{sub B}, with some variation due to film thickness, and uniaxial anisotropy of 40 {micro}Ry/atom for Fe atoms facing vacuum. The Heisenberg model extended to include crystalline anisotropy as well as dipole-dipole interactions is considered for two different values of the exchange constant: J = 20 and 2 meV. Under a large applied field (4000 G), the calculated saturation magnetization falls slowly from 507 emu/cm{sup 3} with an increase in temperature until it falls rapidly around 600 K, after which a more modest falloff with an increase in temperature is observed. For larger J the rapid change occurs for higher temperatures. The importance of disorder in the height and width of the stripes is investigated by generating stripe geometries with a model that incorporates nucleation and growth of Fe particles at step edges under the constraint of constant deposition from MBE. The primary effect of disorder in the stripes is to reduce the saturated magnetization at lower temperatures.

Collaborative Sharing of Windows between MacOS X, the X Window System and Windows Daniel StÃ¸dle This paper investigates how one best can share windows between many different computers in a collaborative application. We present an architecture of a system allowing windows on MacOS X to be shared with computers

The form of solid phase U after Fe(II) induced anaerobic remineralization of ferrihydrite in the presence of aqueous and absorbed U(VI) was investigated under both abiotic batch and biotic flow conditions. Experiments were conducted with synthetic ground waters containing 0.168 mM U(VI), 3.8 mM carbonate, and 3.0 mM Ca{sup 2+}. In spite of the high solubility of U(VI) under these conditions, appreciable removal of U(VI) from solution was observed in both the abiotic and biotic systems. The majority of the removed U was determined to be substituted as oxidized U (U(VI) or U(V)) into the octahedral position of the goethite and magnetite formed during ferrihydrite remineralization. It is estimated that between 3% and 6% of octahedral Fe(III) centers in the new Fe minerals were occupied by U(VI). This site specific substitution is distinct from the non-specific U co-precipitation processes in which uranyl compounds, e.g. uranyl hydroxide or carbonate, are entrapped with newly formed Fe oxides. The prevalence of site specific U incorporation under both abiotic and biotic conditions and the fact that the produced solids were shown to be resistant to both extraction (30 mM KHCO{sub 3}) and oxidation (air for 5 days) suggest the potential importance of sequestration in Fe oxides as a stable and immobile form of U in the environment.

We report extensive measurements on a new compound (Yb{sub 0.24}Sn{sub 0.76})Ru that crystallizes in the cubic CsCl structure. Valence-band photoemission (PES) and L{sub 3} x-ray absorption show no divalent component in the 4f configuration of Yb. Inelastic neutron scattering (INS) indicates that the eight-fold degenerate J-multiplet of Yb{sup 3+} is split by the crystalline electric field (CEF) into a {Lambda}{sub 7}-doublet ground state and a {Lambda}{sub 8} quartet at an excitation energy 20 meV. The magnetic susceptibility can be fit very well by this CEF scheme under the assumption that a {Lambda}{sub 6}-excited state resides at 32 meV; however, the {Lambda}{sub 8}/{Lambda}{sub 6} transition expected at 12 meV was not observed in the INS. The resistivity follows a Bloch-Grueneisen law shunted by a parallel resistor, as is typical of systems subject to phonon scattering with no apparent magnetic scattering. All of these properties can be understood as representing simple local moment behavior of the trivalent Yb ion. At 1 K there is a peak in specific heat that is too broad to represent a magnetic-phase transition, consistent with absence of magnetic reflections in neutron diffraction. On the other hand this peak also is too narrow to represent the Kondo effect in the {Lambda}{sub 7}-doublet ground state. On the basis of the field dependence of the specific heat, we argue that antiferromagnetic (AF) short-range order (SRO) (possibly coexisting with Kondo physics) occurs at low temperatures. The long-range magnetic order is suppressed because the Yb site occupancy is below the percolation threshold for this disordered compound.

The direct methanol fuel cell (DMFC) is an attractive power source for mobile applications due to the high-energy density of methanol, the portability and ease of distribution of liquid rather than gaseous fuel, and elimination of the need for a bulky, power-consuming fuel reformer. There are several factors limiting the power output of polymer electrolyte DMFCs. One of the major factors is the slow kinetics of the methanol electrooxidation reaction on the conventional platinum catalyst material. A CH{sub 3}CN-modified triruthenium carbonyl cluster, Ru{sub 3}(CO){sub 9}(CH{sub 3}CN){sub 3}(I), has been adsorbed on platinum and platinum oxide surfaces from dichloromethane solutions. The modified surface has been characterized by X-ray photoelectron spectroscopy (XPS) and polarized grazing angle Fourier transform-infrared (FT-IR) microscopy. The proposed mechanism for the adsorption of I involves the chemisorption of the metal cluster at the platinum surface by losing the acetonitrile ligand. The original cluster, Ru{sub 3}(CO){sub 12}, could not be adsorbed under the same experimental conditions used for cluster I. The cluster-modified surface was treated with hydrogen for the reduction of the cluster to its metallic state on the Pt surface. This was done at different temperatures. The XPS results show the formation of a complex Ru-RuO{sub 2}-RuO{sub 3}/Pt surface.

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Recent reports of the detecting of ferromagnetism and superconductivity in ruthenium-cuprates have aroused great interest. Unfortunately, whether the two antagonistic phenomena coexist in the same space in the compounds remains unresolved. By employing the magneto-optical-imaging technique, ferromagnetism and superconductivity were indeed directly observed to coexist in the same space in RuSr2(Gd0.7Ce0.3)2Cu2O10 within the experimental resolution of ? 10 µm. The observation sets a length scale limit for models proposed to account for the competition between ferromagnetism and superconductivity, especially d-wave superconductivity, in this interesting class of compounds.

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Description (to be used in archive entry) The lyrics state, "Sheep wool is smooth in the fourth lunar month, the time when adults are happy. Female yaks are full of milk in the fifth lunar month, the time when singers are happy. Horses are in good shape...

Clean Coal News Clean Coal News FE Clean Coal News RSS February 9, 2009 DOE Award Results in Several Patents, Potential Increased Coal Recovery A $13 million cooperative effort with the Office of Fossil Energy's National Energy Technology Laboratory (NETL) over the past seven years has resulted in the successful demonstration of a novel technology that addresses a problem plaguing coal operators and environmentalists alike: separating fine coal particles from water and their ultimate use as a significant energy resource. February 5, 2009 SECA Fuel Cell Program Moves Two Key Projects Into Next Phase The U.S. Department of Energy has selected two projects for continuation within the Department's Solid State Energy Conversion Alliance (SECA) Program research portfolio. February 3, 2009

Speeches and Testimony Speeches and Testimony FE Speeches and Testimony RSS July 25, 2013 DOE's Coal Research and Development Statement of Christopher Smith, Acting Assistant Secretary for Fossil Energy, before the House Committee on Science, Space and Technology Subcommittee on Energy June 18, 2013 DOE's Program Regulating Liquefied Natural Gas Export Applications Statement of Christopher Smith, Acting Assistant Secretary for Fossil Energy, before the House Committee on Energy and Commerce Subcommittees on Energy and Power April 26, 2013 DOE's Shale Gas and Hydraulic Fracturing Research Statement of Guido DeHoratiis Acting Deputy Assistant Secretary for Oil and Natural Gas before the House Committee on Science, Space, and Technology Subcommittees on Energy and Environment March 19, 2013

Petroleum Reserves News Petroleum Reserves News FE Petroleum Reserves News RSS March 14, 2011 DOE Seeks Commercial Storage for Northeast Home Heating Oil Reserve The Department of Energy, through its agent, DLA Energy, has issued a solicitation for new contracts to store two million barrels of ultra low sulfur distillate for the Northeast Home Heating Oil Reserve in New York Harbor and New England. February 10, 2011 DOE Completes Sale of Northeast Home Heating Oil Stocks The U.S. Department of Energy today has awarded contracts to four companies who successfully bid for the purchase of 1,000,000 barrels of heating oil from the Northeast Home Heating Oil Reserve storage sites in Groton and New Haven, CT. February 3, 2011 DOE Accepts Bids for Northeast Home Heating Oil Stocks The U.S. Department of Energy (DOE) today has awarded contracts to three

The Clostridium acetobutylicum [FeFe]-hydrogenase HydA has been investigated as a hydrogen production catalyst in a photoelectrochemical biofuel cell. Hydrogenase was adsorbed to pyrolytic graphite edge and carbon felt electrodes. Cyclic voltammograms of the immobilized hydrogenase films reveal cathodic proton reduction and anodic hydrogen oxidation, with a catalytic bias toward hydrogen evolution. When corrected for the electrochemically active surface area, the cathodic current densities are similar for both carbon electrodes, and 40% of those obtained with a platinum electrode. The high surface area carbon felt/hydrogenase electrode was subsequently used as the cathode in a photoelectrochemical biofuel cell. Under illumination, this device is able to oxidize a biofuel substrate and reduce protons to hydrogen. Similar photocurrents and hydrogen production rates were observed in the photoelectrochemical biofuel cell using either hydrogenase or platinum cathodes.

Strength and deformation microstructure of B2 Fe-39 and 48%Al single crystals (composition given in atomic percent), which were fully annealed to remove frozen-in vacancies, have been investigated at temperatures between room temperature and 1073K. The hardness of as-homogenized Fe-48Al is higher than that of as-homogenized Fe-39Al while after additional annealing at 698K the hardness of Fe-48Al becomes lower than that of Fe-39Al. Fe-39Al single crystals slowly cooled after homogenizing at a high temperature were deformed in compression as a function of temperature and crystal orientation. A peak of yield strength appears around 0.5T{sub m} (T{sub m} = melting temperature). The orientation dependence of the critical resolved shear stress does not obey Schmid`s law even at room temperature and is quite different from that of b.c.c. metals and B2 intermetallics at low temperatures. At the peak temperature slip transition from -type to -type is found to occur macroscopically and microscopically, while it is observed in TEM that some of the [111] dislocations decompose into [101] and [010] on the (1096I) plane below the peak temperature. The physical sources for the positive temperature dependence of yield stress of B2 FeAl are discussed based on the obtained results.

A process is described for improving the rate of metal production and FeO utilization in a steelmaking process or a process combining iron-making and steelmaking in a single reactor that uses or generates Fe-C metal alloy droplets submerged in an FeO-containing slag. The process involves discharging a charge build-up (electron accumulation) in the slag at the slag-metal alloy interface by means of an electron conductor connected between the metal alloy droplets and a gas at a gas-slag interface, said gas having an oxygen partial pressure of at least about 0.01 atmosphere. 2 figs.

Constraining the temperature of computing systems has become a dominant aspect in the design of integrated circuits. The supply voltage decrease has lost its pace even though the feature size is shrinking constantly. This results in an increased number ... Keywords: CMP, DTM, OS, chip multi-processor, chip-multiprocessor, dynamic thermal management, multi-core, multicore, operating system

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Threats to Macintosh's OS X operating system are increasing in sophistication and number. Whether it is the exploitation of an increasing number of holes, use of rootkits for post compromise concealment or distributed denial of service, knowing how the ... Keywords: Security

We compare Android and iOS users according to their demographic differences, security and privacy awareness, and reported behavior when installing apps. We present an exploratory study based on an online survey with more than 700 German students and ... Keywords: android, ios, iphone, personal data, privacy awareness, security awareness, smartphone

The paper describes what we have learned from implementing a multi-agent architecture used to support enterprise notions and principles for intelligent systems design. In the last couple of years, agent-based management systems have been widely used ... Keywords: FIPA-OS, Multi-agent system, Workflow management

The utility of ion-assisted deposition is investigated to explore the possibility of counteracting the deficiency of back-reflected current of Ar neutrals in the case of lighter elements such as Al. A range of energetically ion bombarded Fe/Al multilayers sputtered with applied surface bias of 0, -200, or -400 V were deposited onto Si(111) substrates in an argon atmosphere of 4 mTorr using a computer controlled dc magnetron sputtering system. Grazing incidence reflectivity and rocking curve scans by synchrotron x rays of wavelength of 1.38 A were used to investigate the structures of the interfaces produced. Substantial evidence has been gathered to suggest the gradual suppression of interfacial mixing and reduction in interfacial roughness with increases of applied bias. The densification of the Al microstructure was noticeable and may be a consequence of resputtering attributable to the induced ion bombardment. The average interfacial roughnesses were calculated for the 0, -200, and -400 V samples to be 7{+-}0.5, 6{+-}0.5, and 5{+-}0.5 A respectfully demonstrating a 30% improvement in interface quality. Data from rocking curve scans point to improved long-range correlated roughness in energetically deposited samples. The computational code based on the recursive algorithm developed by Parratt [Phys. Rev. 95, 359 (1954)] was successful in the simulation of the specular reflectivity curves.

We use first-principles computations to investigate whether the band gap of pyrite FeS? can be increased by alloying in order to make it a more effective photovoltaic material. In addition to the isostructural compounds ...

Energetics and concentrations of hydrogen-containing point defect clusters (PDCs) in Fe-C alloys are calculated and cast into a PDC dominance diagram. Because of the strong binding effects of iron vacancies on the stability ...

... in an oxygen flow to obtain the single phase AlFeO3 samples. ... Ceramic-polymer 0-3 Composites-optimized Selection of Materials for the High Frequency Applications ... Composites for Biodegradable Separator Membrane.

FE DOCKET NO. 10-161-LNG FE DOCKET NO. 10-161-LNG FE DOCKET NO. 10-161-LNG ORDER CONDITIONALLY GRANTING LONG-TERM MULTI-CONTRACT AUTHORIZATION TO EXPORT LIQUEFIED NATURAL GAS BY VESSEL FROM THE FREEPORT LNG TERMINAL ON QUINTANA ISLAND, TEXAS TO NON-FREE TRADE AGREEMENT NATIONS Based on a review of the complete record and for the reasons set forth below, DOE/FE has concluded that the opponents of the FLEX Application have not demonstrated that the requested authorization would be inconsistent with the public interest. As further described below, we find that the exports proposed in this Application are likely to yield net economic benefits to the United States. We further find that granting the requested authorization is unlikely to affect adversely the availability of natural gas supplies to domestic consumers or result in natural gas price increases

FE DOCKET NO. 11-59-LNG FE DOCKET NO. 11-59-LNG FE DOCKET NO. 11-59-LNG ORDER NO. 3324 CONDITIONALLY GRANTING LONG-TERM MULTI-CONTRACT AUTHORIZATION TO EXPORT LIQUEFIED NATURAL GAS BY VESSEL FROM THE LAKE CHARLES TERMINAL TO NON-FREE TRADE AGREEMENT NATIONS Based on a review of the complete record and for the reasons set forth below, DOE/FE has concluded that the opponents of the Lake Charles Exports, LLC (LCE) Application have not demonstrated that the requested authorization will be inconsistent with the public interest. As described below, we find that the exports proposed in this Application are likely to yield net economic benefits to the United States. Accordingly, for this and other reasons set forth below, we are conditionally granting the LCE Application, subject to satisfactory completion of environmental review and

Iron and Pu Reduction: (1) Very different appearances in iron reaction products were noted depending on pH, brine and initial iron phase; (2) Plutonium was associated with the Fe phases; (3) Green rust was often noted at the higher pH; (4) XANES established the green rust to be an Fe2/3 phase with a bromide center; and (5) This green rust phase was linked to Pu as Pu(IV).

ba1e6-bb46-40fe-855e-f9602f6db2ec ba1e6-bb46-40fe-855e-f9602f6db2ec No revision has been approved for this page. It is currently under review by our subject matter experts. Jump to: navigation, search Loading... 1. Basic Information 2. Demand 3. Energy << Previous 1 2 3 Next >> Basic Information Utility name: Lee County Electric Coop, Inc Effective date: 2008/07/01 End date if known: Rate name: OS-2 Traffic Signal Electric Service Sector: Lighting Description: This schedule is applicable to all electric service used exclu-sively for traffic signals and other traffic control devices where the traffic signal system and the circuit necessary to connect to the Lee County Electric Cooperative, Inc.'s existing distribution facilities are installed, owned, and maintained by the customer.

Sample records for fe ru os from the National Library of Energy Beta (NLEBeta)

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Supernova remnants (SNRs) are strong thermal emitters of infrared radiation. The most prominent lines in the near-infrared spectra of SNRs are [Fe II] lines. The [Fe II] lines are from shocked dense atomic gases, so they trace SNRs in dense environments. After briefly reviewing the physics of the [Fe II] emission in SNR shocks, I describe the observational results which show that there are two groups of SNRs bright in [Fe II] emission: middle-aged SNRs interacting with molecular clouds and young core-collapse SNRs in dense circumstellar medium. The SNRs belonging to the former group are also bright in near-infrared H$_2$ emission, indicating that both atomic and molecular shocks are pervasive in these SNRs. The SNRs belonging to the latter group have relatively small radii in general, implying that most of them are likely the remnants of SN IIL/b or SN IIn that had strong mass loss before the explosion. I also comment on the "[Fe II]-H$_2$ reversal" in SNRs and on using the [Fe II]-line luminosity as an indic...

A consistent methodology for obtaining enthalpy of formation of Fe{sup 2+}-containing binary and multicomponent oxides using high temperature oxide melt solution calorimetry has been developed. The enthalpies of wuestite (FeO) and magnetite (Fe{sub 3}O{sub 4}) oxidation to hematite (Fe{sub 2}O{sub 3}) were measured using oxidative drop solution calorimetry in which the final product is dissolved ferric oxide. Two methods were applied: drop solution calorimetry at 1073 K in lead borate solvent and at 973 K in sodium molybdate, each under both oxygen flowing over and bubbling through the solvent, giving consistent results in agreement with literature values. The enthalpies of formation of all three iron oxides from the elements were obtained using a thermodynamic cycle involving the directly measured oxidative dissolution enthalpy of iron metal in sodium molybdate at 973 K and gave excellent consistency with literature data. The methodology was then applied to the magnetite - maghemite system. The enthalpy of mixing of the Fe{sub 3}O{sub 4}-Fe{sub 8/3}O{sub 4} spinel solid solution is exothermic and, 2 represented by a subregular (Margules) formalism, {Delta}H{sub mix} = x(1-x)(-63.36 {+-} 8.60(1-x) + 17.65 {+-} 6.40x) kJ/mol, where x is the mole fraction of magnetite. The entropies of mixing of the solid solution were calculated for different assumptions about the distribution of cations, charges, and vacancies in these defect spinels. The different models lead to only small differences in the entropy of mixing. Calculated free energies of mixing show no evidence for a solvus in the magnetite - maghemite system.

Oxidation state is a major factor affecting the mobility of arsenic (As) and antimony (Sb) in soil and aquatic systems. Metal (hydr)oxides and clay minerals are effective sorbents, and may also promote redox reactions on their surfaces via direct or indirect facilitation of electron transfer. Iron substituted for Al in the octahedral sites of aluminosilicate clay minerals has the potential to be in variable oxidation states and is a key constituent of electron transfer reactions in clay minerals. This experimental work was conducted to determine whether structural Fe in clays can affect the oxidation state of As and Sb adsorbed at the clay surface. Another goal of our study was to compare the reactivity of clay structural Fe(II) with systems containing Fe(II) present in dissolved/adsorbed forms. The experimental systems included batch reactors with various concentrations of As(III), Sb(III), As(V), or Sb(V) equilibrated with oxidized (NAu-1) or partially reduced (NAu-1-Red) nontronite, hydrous aluminum oxide (HAO) and kaolinite (KGa-1b) suspensions under oxic and anoxic conditions. The reaction times ranged from 0.5 to 720 h, and pH was constrained at 5.5 (for As) and at 5.5 or 8.0 (for Sb). The oxidation state of As and Sb in the liquid phase was determined by liquid chromatography in line with an inductively coupled plasma mass spectrometer, and in the solid phase by X-ray absorption spectroscopy. Our findings show that structural Fe(II) in NAu-1-Red was not able to reduce As(V)/Sb(V) under the conditions examined, but reduction was seen when aqueous Fe(II) was present in the systems with kaolinite (KGa-1b) and nontronite (NAu-1). The ability of the structural Fe in nontronite clay NAu-1 to promote oxidation of As(III)/Sb(III) was greatly affected by its oxidation state: if all structural Fe was in the oxidized Fe(III) form, no oxidation was observed; however, when the clay was partially reduced ({approx}20% of structural Fe was reduced to Fe(II)), NAu-1-Red promoted the most extensive oxidation under both oxic and anoxic conditions. Electron balance considerations suggest that structural Fe(III) in the NAu-1-Red was the sole oxidant in the anoxic setup, while dissolved O{sub 2} also contributes in oxic conditions. Long-term batch experiments revealed the complex dynamics of As aqueous speciation in anoxic and oxic systems when reduced arsenic was initially added: rapid disappearance of As(III) was observed due to oxidation to As(V) followed by a slow increase of aqueous As(III). This behavior is explained by two reactions: fast initial oxidation of As(III) by structural Fe(III) (anoxic) or Fe(III) and dissolved O2 (oxic) followed by the slow reduction of As(V) by dissolved Fe(II). The resulting re-mobilization of As due to As(V) reduction by aqueous Fe(II) occurs on time scales on the order of days. These reactions are likely significant in a natural soil or aquifer environment with seasonal cycling or slightly reducing conditions with an abundance of clay minerals and dissolved Fe(II).

Density functional calculations have proven to be a useful tool in the study of ground state properties of many materials. The investigation of finite temperature magnetism, on the other hand, has to rely usually on the usage of empirical models that allow the large number of evaluations of the systems Hamiltonian that are required to obtain the phase space sampling needed to obtain the free energy, specific heat, magnetization, susceptibility, and other quantities as function of temperature. We have demonstrated a solution to this problem that harnesses the computational power of today s large massively parallel computers by combining a classical Wang Landau Monte-Carlo calculation [F. Wang and D. P. Landau, Phys. Rev. Lett. 86, 2050 (2001)] with our first principles multiple scattering electronic structure code [Y. Wang et al., Phys. Rev. Lett. 75, 2867 (1995)] that allows the energy calculation of constrained magnetic states [M. Eisenbach et al., Proceedings of the Conference on High Performance Computing, Networking, Storage and Analysis (ACM, New York, 2009)]. We present our calculations of finite temperature properties of Fe and Fe3C using this approach and we find the Curie temperatures to be 980 and 425K, respectively. VC2011 American Institute of Physics. [doi:10.1063/1.3562218

Abstract Heterogeneous reduction of actinides in higher and more soluble oxidation states to lower more insoluble oxidation states by reductants such as Fe(II) has been the subject of intensive study for more than two decades. However, Fe(II)-induced reduction of sparingly soluble Pu(IV) to the more soluble lower oxidation state Pu(III) has been much less studied even though such reactions can potentially increase the mobility of Pu in the subsurface. Thermodynamic calculations are presented that show how differences in the free energy of various possible solid-phase Fe(III) reaction products can greatly influence aqueous Pu(III) concentrations resulting from reduction of PuO2(am) by Fe(II). We present the first experimental evidence that reduction of PuO2(am) to Pu(III) by Fe(II) was enhanced when the Fe(III) mineral goethite was spiked into the reaction. The effect of goethite on reduction of Pu(IV) was demonstrated by measuring the time-dependence of total aqueous Pu concentration, its oxidation state, and system pe/pH. We also re-evaluated established protocols for determining Pu(III) [(Pu(III) + Pu(IV)) - Pu(IV)] by using thenoyltrifluoroacetone (TTA) in toluene extractions; the study showed that it is important to eliminate dissolved oxygen from the TTA solutions for accurate determinations. More broadly, this study highlights the importance of the Fe(III) reaction product in actinide reduction rate and extent by Fe(II).

The PNNL OS3700 Tritium Monitoring System Software and Hardware Operations Manual describes herein how to install and operate the software and hardware on a personal computer in conjunction with the Berthold LB110 flow-through proportional counter detector system. Included are operational details for the software functions, how to read and use the drop-down menus, how to understand readings and calculations, and how to access the database tables.

This Pacific Northwest National Laboratory (PNNL) OS3300 Alpha/Beta Monitoring System Software and Hardware Operations Manual describes how to install and operate the software and hardware on a personal computer in conjunction with the EG&G Berthold LB150D continuous air monitor. Included are operational details for the software functions, how to read and use the drop-down menus, how to understand readings and calculations, and how to access the database tables.

Originally discovered in the dissimilatory metal-reducing bacterium Shewanella oneidensis MR-1 (MR-1), the Mtr (i.e., metal-reducing) pathway exists in all characterized strains of metal-reducing Shewanella. The protein components identified to date for the Mtr pathway of MR-1 include four multi-heme c-type cytochromes (c-Cyts), CymA, MtrA, MtrC and OmcA, and a porin-like, outer membrane protein MtrB. They are strategically positioned along the width of the MR-1 cell envelope to mediate electron transfer from the quinone/quinol pool in the inner-membrane to the Fe(III)-containing minerals external to the bacterial cells. A survey of microbial genomes revealed homologues of the Mtr pathway in other dissimilatory Fe(III)-reducing bacteria, including Aeromonas hydrophila, Ferrimonas balearica and Rhodoferax ferrireducens, and in the Fe(II)-oxidizing bacteria Dechloromonas aromatica RCB, Gallionella capsiferriformans ES-2 and Sideroxydans lithotrophicus ES-1. The widespread distribution of Mtr pathways in Fe(III)-reducing or Fe(II)-oxidizing bacteria emphasizes the importance of this type of extracellular electron transfer pathway in microbial redox transformation of Fe. Their distribution in these two different functional groups of bacteria also emphasizes the bi-directional nature of electron transfer reactions carried out by the Mtr pathways. The characteristics of the Mtr pathways may be shared by other pathways used by microorganisms for exchanging electrons with their extracellular environments.

A 'true' critical current density, j{sub c}, as opposite to commonly measured relaxed persistent (Bean) current, j{sub B}, was extracted from the Campbell penetration depth, {lambda}{sub c}(T,H) measured in single crystals of LiFeAs, and optimally electron-doped Ba(Fe{sub 0.954}Ni{sub 0.046}){sub 2}As{sub 2} (FeNi122). In LiFeAs, the effective pinning potential is nonparabolic, which follows from the magnetic field - dependent Labusch parameter {alpha}. At the equilibrium (upon field - cooling), {alpha}(H) is non-monotonic, but it is monotonic at a finite gradient of the vortex density. This behavior leads to a faster magnetic relaxation at the lower fields and provides a natural dynamic explanation for the fishtail (second peak) effect. We also find the evidence for strong pinning at the lower fields.The inferred field dependence of the pinning potential is consistent with the evolution from strong pinning, through collective pinning, and eventually to a disordered vortex lattice. The value of j{sub c}(2 K) {approx_equal} 1.22 x 10{sup 6} A/cm{sup 2} provide an upper estimate of the current carrying capability of LiFeAs. Overall, vortex behavior of almost isotropic, fully-gapped LiFeAs is very similar to highly anisotropic d-wave cuprate superconductors, the similarity that requires further studies in order to understand unconventional superconductivity in cuprates and pnictides. In addition to LiFeAs, we also report the magnetic penetration depth in BaFe{sub 2}As{sub 2} based superconductors including irradiation of FeNi122. In unirradiated FeNi122, the maximum critical current value is, j{sub c}(2K) {approx_equal} 3.3 x 10{sup 6} A/cm{sup 2}. The magnetic-dependent feature was observed near the transition temperature in FeTe{sub 0.53}Se{sub 0.47} and irradiated FeNi122. Because of this feature, further studies are required in order to properly calibrate the Campbell penetration depth. Finally, we detected the crossing between the magnetic penetration depth and London penetration depth in optimally hold-doped Ba{sub 0.6}K{sub 0.4}Fe{sub 2}As{sub 2} (BaK122) and isovalent doped BaFe{sub 2}(As{sub 0.7}P{sub 0.3}){sub 2} (BaP122). These phenomena probably coincide with anomalous Meissner effect reported in pnicitde superconductors [Prozorov et al. (2010b)] however more studies are needed in order to clarify this.

Correlation between structure and transport properties are investigated in high-quality single-crystals of Ca{sub 2}Ru{sub 1-x}Cr{sub x}O{sub 4} with 013.5% and the system behaves as an insulator. Such a large, sharp metal-insulator transition and tuneable transition temperature may have potential applications in electronic devices. -- Graphical abstract: The metal-insulator transition temperature (T{sub MI}) was drastically reduced by Cr doping, and is closely related to the distortion of structure. Display Omitted Research highlights: {yields} The metal-insulator transition temperature (T{sub MI}) was drastically reduced by doping Cr into Ca{sub 2}RuO{sub 4} single crystal. {yields} Detailed single crystal structural analysis provided important insight into this structurally-driven metal-insulator transition. {yields} Negative Volume Thermal Expansion (NVTE) was observed with increasing temperature.

The effect of CO conversion on hydrocarbon selectivities (i.e., CH{sub 4}, C{sub 5+}, olefin and paraffin), H{sub 2}/CO usage ratios, CO{sub 2} selectivity, and catalyst stability over a wide range of CO conversion (12-94%) on 0.27%Ru-25%Co/Al{sub 2}O{sub 3} catalyst was studied under the conditions of 220 C, 1.5 MPa, H{sub 2}/CO feed ratio of 2.1 and gas space velocities of 0.3-15 NL/g-cat/h in a 1-L continuously stirred tank reactor (CSTR). Catalyst samples were withdrawn from the CSTR at different CO conversion levels, and Co phases (Co, CoO) in the slurry samples were characterized by XANES, and in the case of the fresh catalysts, EXAFS as well. Ru was responsible for increasing the extent of Co reduction, thus boosting the active site density. At 1%Ru loading, EXAFS indicates that coordination of Ru at the atomic level was virtually solely with Co. It was found that the selectivities to CH{sub 4}, C{sub 5+}, and CO{sub 2} on the Co catalyst are functions of CO conversion. At high CO conversions, i.e. above 80%, CH{sub 4} selectivity experienced a change in the trend, and began to increase, and CO{sub 2} selectivity experienced a rapid increase. H{sub 2}/CO usage ratio and olefin content were found to decrease with increasing CO conversion in the range of 12-94%. The observed results are consistent with water reoxidation of Co during FTS at high conversion. XANES spectroscopy of used catalyst samples displayed spectra consistent with the presence of more CoO at higher CO conversion levels.

Structures of nanoparticles in Fe-16Cr-4.5Al-0.3Ti-2W-0.37Y2O3 (K3) and Fe-20Cr-4.5Al-0.34Ti-0.5Y2O3 (MA956) oxide dispersion strengthened (ODS) ferritic steels produced by mechanical alloying (MA) and followed by hot extrusion have been studied using high-resolution transmission electron microscopy (HRTEM) techniques to gain insight about the formation mechanism of nanoparticles in MA/ODS steels. The observations of Y-Al-O complex-oxide nanoparticles in both ODS steels imply that decomposition of Y2O3 in association with internal oxidation of Al occurred during mechanical alloying. While the majority of oxide nanoparticles formed in both steels is Y4Al2O9, a few oxide particles of YAlO3 are also occasionally observed. These results reveal that Ti (0.3 wt %) plays an insignificant role in forming oxide nanoparticles in the presence of Al (4.5 wt %). HRTEM observations of crystalline nanoparticles larger than {approx}2 nm and amorphous or disordered cluster domains smaller than {approx}2 nm provide an insight into the formation mechanism of oxide nanoparticle in MA/ODS steels, which we believe from our observations involves a solid-state amorphous precursor followed by recrystallization. Dual ion-beam irradiations using He{sup +} + Fe{sup +8} ions were employed to gain more detailed insight about the role of nanoparticles in suppressing radiation-induced swelling. This is elaborated through TEM examinations of cavity distributions in ion-irradiated Fe-14Cr and K3-ODS ferritic steels. HRTEM observations of helium-filled cavities (helium bubbles) preferably trapped at nanoscale oxide particles and clusters in ion-irradiated K3-ODS are presented. Finally, we describe the results from triple ion-beam irradiations using H{sup +} + He{sup +} + Fe{sup +8} ions to emulate fusion first wall radiation effects. Preliminary work is reported that confirms the existence of significant hydrogen synergistic effects described earlier by Tanaka et al., for Fe(Cr) and by Wakai et al., for F82H reduced activation ferritic martensitic (RAF/M) steel. These previous results combined with our data suggest a complex new 'catalytic' mechanism whereby H interacts with the steady state population of defects and the embryonic cavities so as to accelerated cavity (void) growth in both Fe(Cr) and under special conditions in ODS steels.

The Fe/V redox flow battery has demonstrated promising performance that is advantageous over other redox flow battery systems. The less oxidative nature of the Fe(III) species enables use of hydrocarbon - based ion exchange membranes or separators. Daramic(reg. sign) microporous polyethylene separators were tested on Fe/V flow cells using the sulphuric/chloric mixed acid - supporting electrolytes. Among them, Daramic(reg. sign) C exhibited good flow cell cycling performance with satisfactory repeatability over a broad temperature range of 5 - 50 degrees C. Energy efficiency (EE) of C remains above 67% at current densities of 50 - 80 cm{sup -2} in the temperature range from room temperature to 50 degrees C. The capacity decay problem could be circumvented through hydraulic pressure balancing by applying different pump rates to the positive and negative electrolytes. Stable capacity and energy were obtained over 40 cycles at room temperature and 40 degrees C. These results manifest that the extremely low-cost separators ($10/cm2) are applicable in the Fe/V flow battery system at an acceptable sacrifice of energy efficiency. This stands for a remarkable breakthrough in significant reduction of the capital cost of the Fe/V flow battery system, and is promising to promote its market penetration in grid stabilization and renewable integration.

Iron(Fe)-doped InN (InN:Fe) layers have been grown by molecular beam epitaxy. It is found that Fe-doping leads to drastic increase of residual electron concentration, which is different from the semi-insulating property of Fe-doped GaN. However, this heavy n-type doping cannot be fully explained by doped Fe-concentration ([Fe]). Further analysis shows that more unintentionally doped impurities such as hydrogen and oxygen are incorporated with increasing [Fe] and the surface is degraded with high density pits, which probably are the main reasons for electron generation and mobility reduction. Photoluminescence of InN is gradually quenched by Fe-doping. This work shows that Fe-doping is one of good choices to control electron density in InN.

FE Implementation of the Recovery Act FE Implementation of the Recovery Act FE Implementation of the Recovery Act The American Recovery and Reinvestment Act of 2009 (Recovery Act) was signed into law by President Obama on February 17th, 2009. It is an unprecedented effort to jumpstart our economy, create or save millions of jobs, and put a down payment on addressing long-neglected challenges so our country can thrive in the 21st century. As the centerpiece of the President's commitment to transparency and accountability, this site will feature projections for how, when, and where the Office of Fossil Energy funds will be spent. The Office of Fossil Energy has received $3.4 billion from the Recovery Act. Initiatives will focus on research, development and deployment of technologies to use coal more cleanly and efficiently. Investments will go

Sample records for fe ru os from the National Library of Energy Beta (NLEBeta)

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Santa Fe Community College Foundation Santa Fe Community College Foundation Los Alamos National Security invests in Santa Fe Community College Foundation The new center is an educational and training facility for alternative energy and green jobs. July 16, 2009 Los Alamos National Laboratory sits on top of a once-remote mesa in northern New Mexico with the Jemez mountains as a backdrop to research and innovation covering multi-disciplines from bioscience, sustainable energy sources, to plasma physics and new materials. Los Alamos National Laboratory sits on top of a once-remote mesa in northern New Mexico with the Jemez mountains as a backdrop to research and innovation covering multi-disciplines from bioscience, sustainable energy sources, to plasma physics and new materials. Contact Steve Sandoval

Visiting With Santa Fe Small Business Owners Visiting With Santa Fe Small Business Owners Visiting With Santa Fe Small Business Owners May 10, 2012 - 9:02am Addthis Dot Harris Dot Harris The Honorable Dot Harris, Director, Office of Economic Impact and Diversity You've got to do your homework in order to contract with the federal government. Whether you are a large or small business owner, learning the ins and outs of government contracting takes dedication, perseverance, and taking advantage of opportunities to meet face-to-face with procurement experts and other businesses. That's where our Small Business Roundtables, Business Opportunity Sessions, conference booths, and Regional Small Business Summits come in. We want to meet directly with small business owners, managers, and staffers, to hear what you need to learn from us to make the contracting

We present a surface x-ray diffraction study of the interface geometric structure in the Fe/MgO/Fe(001) magnetic tunnel junction (MTJ). While the lower MgO/Fe(001) interface is characterized by a substoichiometric FeO{sub x} (x=0.6{+-}0.1) layer in agreement with previous studies, growth of Fe on the MgO spacer and the upper Fe/MgO interface structure strongly depends on the preparation method. If 0.4 monolayers of Fe are initially deposited in ambient oxygen atmosphere (p=10{sup -7} mbar) followed by Fe deposition under ultrahigh-vacuum (UHV) conditions, structural coherence across the trilayer junction is observed. In this case, substoichiometric FeO{sub x} layers are present at both Fe/MgO interfaces corresponding to a symmetric MTJ structure. In contrast, lattice registry is not preserved if Fe deposition is carried out solely under UHV conditions. Our results might have important implications for the preparation of magnetic tunnel junctions optimized to achieve giant tunneling-magnetoresistance amplitudes.

32: Xen p2m_teardown() Bug Lets Local Guest OS Users Deny 32: Xen p2m_teardown() Bug Lets Local Guest OS Users Deny Service on the Host OS U-232: Xen p2m_teardown() Bug Lets Local Guest OS Users Deny Service on the Host OS August 10, 2012 - 7:00am Addthis PROBLEM: Xen p2m_teardown() Bug Lets Local Guest OS Users Deny Service on the Host OS PLATFORM: This vulnerability effects only Xen 4.0 and 4.1. Xen 3.4 and earlier and xen-unstable are not vulnerable. ABSTRACT: A vulnerability was reported in Xen. A local user on a guest operating system can cause denial of service conditions on the host. reference LINKS: Xen Security Announcements SecurityTracker Alert ID: 1027365 seclists.org CVE-2012-3433 IMPACT ASSESSMENT: Medium Discussion: An HVM guest is able to manipulate its physical address space such that tearing down the guest takes an extended period amount of time searching

32: Xen p2m_teardown() Bug Lets Local Guest OS Users Deny 32: Xen p2m_teardown() Bug Lets Local Guest OS Users Deny Service on the Host OS U-232: Xen p2m_teardown() Bug Lets Local Guest OS Users Deny Service on the Host OS August 10, 2012 - 7:00am Addthis PROBLEM: Xen p2m_teardown() Bug Lets Local Guest OS Users Deny Service on the Host OS PLATFORM: This vulnerability effects only Xen 4.0 and 4.1. Xen 3.4 and earlier and xen-unstable are not vulnerable. ABSTRACT: A vulnerability was reported in Xen. A local user on a guest operating system can cause denial of service conditions on the host. reference LINKS: Xen Security Announcements SecurityTracker Alert ID: 1027365 seclists.org CVE-2012-3433 IMPACT ASSESSMENT: Medium Discussion: An HVM guest is able to manipulate its physical address space such that tearing down the guest takes an extended period amount of time searching

The objectives were: (1) to characterize samples D1, 10% FeO/90% MnO, and D2, 48% FeO/52% MnO, under varying conditions of reduction (at 250/sup 0/C or 350/sup 0/C in H/sub 2/) and of syngas reaction 1:1 of CO:H/sub 2/ at 290/sup 0/C) and in some cases use CO only for reduction and to identify species by Moessbauer Spectroscopy and Magnetization (sigma/sub s) measurement; (2) similarly, to see if there is any metal (oxide)/support (Mordenite) interaction by the same techniques. The characterization was carried out with above techniques and the kinetic results for syngas were obtained on the above systems mostly at PETC. During reduction of Fe-oxide/Mn-oxide an intermediate Mn-ferrite phase was detected. After reduction, species such as Fe/sup 0/+Fe/sup 3 +/+Fe/sup 2 +/ in varying total proportions (45% at 290/sup 0/C and Fe/sup 0/+Fe/sup 2 +/ 75% were found at 350/sup 0/C). Syngas conversion showed Fe-carbides (Fe/sub 2/C/sub 2/+Fe/sub 3/C) depending on the reaction conditions, and the composition of D/sub 1/ and D/sub 2/. With the fresh ..gamma..-Fe/sub 2/O/sub 3/ (identified by Moessbauer) on Mordenites with varying ratios of SiO/sub 2//Al/sub 2/O/sub 3/, a decrease in (sigma/sub s/) was found with lowering of the ratios from 60 to 17. At 17% ratio (sigma/sub s/) was smallest and the change in the isomer shift was maximum, which established an interaction with the Broensted cities. 24 figures.

Diluted magnetic semiconductor Cu2FeSnS4 nanocrystals with a novel zincblende structure have been successfully synthesized by a hot-injection approach. Cu+, Fe2+, and Sn4+ ions occupy the same position in the ...

Nitric oxide plays an important role in many biological functions. A metallo derivative in biological systems is a protein-bound dinitrosyl iron complex (DNIC), which results from iron-sulfur cluster degradation in the presence of excess NO. Through model complexes I have examined the fundamental properties of a dithiolato-Fe(NO)2 complex, bismercaptoethandiazacyclooctane iron dinitrosyl or (H+bme-daco)Fe(NO)2 as a biomimic of dicysteinate coordination of [Fe(NO)2]. This complex was prepared and fully characterized in my studies. The DNIC moiety is in its oxidized state, {Fe(NO)2}9. Through reaction studies, monitored by IR spectroscopy (H+N2S2)Fe(NO)2 (N2S2 = bme-dach. Bme-pda) has been shown to transfer NO to FeIII in (TPP)FeCl (TPP = meso-tetraphenylporphyrin) as NO-. The remaining mononitrosyl converts into complex (N2S2)Fe(NO). The (N2S2)Fe(NO) complexes (N2S2 = bme-daco, bme*-daco, bme-dach) were prepared by direct reaction of dimeric [(N2S2)Fe]2 and NO gas. The analogous (N2S2)Co(NO) complex (N2S2 = bme-dach) has also been prepared. The series of square pyramidal (N2S2)M(NO) have been studied by cyclic voltammetry and ?(NO) IR spectroscopy.

Wuestite, Fe{sub 1-x}O, is an important component in the mineralogy of Earth's lower mantle and may also be a component in the core. Therefore the high pressure, high temperature behavior of FeO, including its phase diagram and equation of state, is essential knowledge for understanding the properties and evolution of Earth's deep interior. We performed X-ray diffraction measurements using a laser-heated diamond anvil cell to achieve simultaneous high pressures and temperatures. Wuestite was mixed with iron metal, which served as our pressure standard, under the assumption that negligible oxygen dissolved into the iron. Our data show a positive slope for the subsolidus phase boundary between the B1 and B8 structures, indicating that the B1 phase is stable at the P-T conditions of the lower mantle and core. We have determined the thermal equation of state of B1 FeO to 156 GPa and 3100 K, finding an isothermal bulk modulus K{sub 0} = 149.4 {+-} 1.0 GPa and its pressure derivative K'{sub 0} = 3.60 {+-} 0.4. This implies that 7.7 {+-} 1.1 wt.% oxygen is required in the outer core to match the seismologically-determined density, under the simplifying assumption of a purely Fe-O outer core.

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We have carried-out a series of multi-configuration Breit-Pauli AUTOSTRUCTURE calculations for the dielectronic recombination of Fe^{13+}. We present a detailed comparison of the results with the high-energy resolution measurements reported recently from the Heidelberg Test Storage Ring by Schmidt et al. Many Rydberg series contribute significantly from this initial 3s^2 3p M-shell ion, resulting in a complex recombination `spectrum'. While there is much close agreement between theory and experiment, differences of typically 50% in the summed resonance strengths over 0.1-10 eV result in the experimentally based total Maxwellian recombination rate coefficient being a factor of 1.52-1.38 larger than theory over 10^4-10^5 K, which is a typical temperature range of peak abundance for Fe^{13+} in a photoionized plasma. Nevertheless, this theoretical recombination rate coefficient is an order of magnitude larger than that used by modellers to-date. This may help explain the discrepancy between the iron M-shell ionization balance predicted by photoionization modelling codes such as ION and CLOUDY and that deduced from the iron M-shell unresolved-transition-array absorption feature observed in the X-ray spectrum of many active galactic nuclei. Similar data are required for Fe^{8+} through Fe^{12+} to remove the question mark hanging over the atomic data though.

A particulate mixture of Cu and Fe is compacted and mechanically reduced to form an ''in-situ'' Cu-Fe composite having high strength and high conductivity. Compaction and mechanical reduction of the particulate mixture are carried out at a temperature and time at temperature selected to avoid dissolution of Fe into the Cu matrix particulates to a harmful extent that substantially degrades the conductivity of the Cu-Fe composite. 5 figures.

A particulate mixture of Cu and Fe is compacted and mechanically reduced to form an "in-situ" Cu-Fe composite having high strength and high conductivity. Compaction and mechanical reduction of the particulate mixture are carried out at a temperature and time at temperature selected to avoid dissolution of Fe into the Cu matrix particulates to a harmful extent that substantially degrades the conductivity of the Cu-Fe composite.

Nd-Fe-B sinteredmagnets are used for motors of hybrid or electric vehicles due to their high energy products. Dy is added to Nd-Fe-B sinteredmagnets to work in a high temperature environment. Although the addition of Dy decreases the magnetization of Nd-Fe-B magnets

We report extensive measurements on a new compound (Yb{sub 0.24}Sn{sub 0.76})Ru that crystallizes in the cubic CsCl structure. Valence band photoemission and L{sub 3} x-ray absorption show no divalent component in the 4f configuration of Yb. Inelastic neutron scattering (INS) indicates that the eight-fold degenerate J-multiplet of Yb{sup 3+} is split by the crystalline electric field (CEF) into a ?{sub 7} doublet ground state and a ?{sub 8} quartet at an excitation energy 20 meV. The magnetic susceptibility can be fit very well by this CEF scheme under the assumption that a ?{sub 6} excited state resides at 32 meV; however, the ?{sub 8}/?{sub 6} transition expected at 12 meV was not observed in the INS. The resistivity follows a Bloch-Grüneisen law shunted by a parallel resistor, as is typical of systems subject to phonon scattering with no apparent magnetic scattering. All of these properties can be understood as representing simple local moment behavior of the trivalent Yb ion. At 1 K, there is a peak in specific heat that is too broad to represent a magnetic phase transition, consistent with absence of magnetic reflections in neutron diffraction. On the other hand, this peak also is too narrow to represent the Kondo effect in the ?{sub 7} ground state doublet. On the basis of the field-dependence of the specific heat, we argue that antiferromagnetic shortrange order (possibly co-existing with Kondo physics) occurs at low temperatures. The long-range magnetic order is suppressed because the Yb site occupancy is below the percolation threshold for this disordered compound.

The kinetics of the reactions of C{sub 2}H{sub 5} radical with Co(NH{sub 3}){sub 5}X{sup 2+}, Ru(NH{sub 3}){sub 5}X{sup 2+}, and Co(dmgH){sub 2} (X) (Y) (X = Br, Cl, N{sub 3}, SCN; Y = H{sub 2}O, CH{sub 3}CN) complexes were studied using laser flash photolysis of ethylcobalt complexes. The kinetics were obtained by the kinetic probe method. Some relative rate constants were also determined by a competition method based on ethyl halide product ratios. The kinetics of colligation reactions of a series of alkyl radicals with {beta}-Ni(cyclam){sup 2+} were studied using flaser flash photolysis of alkylcobalt complexes. Again, the kinetics were obtained by employing the kinetic probe competition method. The kinetics of the unimolecular homolysis of a series of RNi(cyclam)H{sub 2}O{sup 2+} were studied. Activation parameters were obtained for the unimolecular homolysis of C{sub 2}H{sub 5}Ni(cyclam)H{sub 2}O{sup 2+}. Kinetic and thermodynamic data obtained from these reactions were compared with those for the {sigma}-bonded organometallic complexes. The kinetics of the unimolecular homolysis of a series of RNi(cyclam)H{sub 2}O{sup 2+} complexes were studied by monitoring the formation of the oxygen insertion product RO{sub 2}Ni(cyclam)H{sub 2}O{sup 2+}. The higher rate constants for the reactions of alkyl radicals with oxygen in solution, as compared with those measured in the gas phase, were discussed. 30 refs.

We present an X-ray resonant magnetic scattering study at the Fe-K absorption edge of the BaFe2As2 compound. The energy spectrum of the resonant scattering, together with our calculation using the full-potential linear-augmented plane wave method with a local density functional suggests that the observed resonant scattering arises from electric dipole (E1) transitions. We discuss the role of Fe K-edge X-ray resonant magnetic scattering in understanding the relationship between the structure and the antiferromagnetic transition in the doped Ba(Fe1?xCox)2As2 superconductors.

A growth diagram of Lu-Fe-O compounds on an MgO (111) substrate using pulsed laser deposition is constructed according to the experimental data. The LuFe2O4 phase can only be grown in a small range of temperature and O2 pressure conditions. Fundamental understanding of the growth mechanism of Lu-Fe-O compound films are gained in terms of the thermal chemistry at the surface. Superparamagnetism is observed in a film of LuFe2O4 clusters separated by the hexagonal LuFeO3 phase and structural defects.

Initial steps of bimetallic Ru-Os cluster formation on MgO in the presence of H{sub 2} are analyzed by EXAFS and IR spectroscopy. Ru-Os bond formation takes place after decarbonylation of Ru{sub 3} clusters and subsequently, at higher temperatures, of Os{sub 3} clusters to generate coordinative unsaturation.

Recently invented Fe/V redox flow battery (IVBs) system has attracted more and more attentions due to its long-term cycling stability. In this paper, the factors (such as compositions, state of charge (SOC) and temperatures) influencing the stability of electrolytes in both positive and negative half-cells were investigated by an extensive matrix study. Thus an optimized electrolyte, which can be operated in the temperature ranges from -5oC to 50oC without any precipitations, was identified. The Fe/V flow cells using the optimized electrolytes and low-cost membranes exhibited satisfactory cycling performances at different temperatures. The efficiencies, capacities and energy densities of flow batteries with varying temperatures were discussed in detail.

This research project (started Fall 2004) was funded by a grant to Argonne National Laboratory, The Pennsylvania State University, and The University of Alabama in the Integrative Studies Element of the NABIR Program (DE-FG04-ER63914/63915/63196). Dr. Eric Roden, formerly at The University of Alabama, is now at the University of Wisconsin, Madison. Our project focuses on the development of a mechanistic understanding and quantitative models of coupled Fe(III)/U(VI) reduction in FRC Area 2 sediments. This work builds on our previous studies of microbial Fe(III) and U(VI) reduction, and is directly aligned with the Scheibe et al. NABIR FRC Field Project at Area 2.

Gas atomization reaction synthesis was employed as a simplified method for processing oxide dispersion forming precursor Fe-based powders (e.g., Fe-Cr-Y-Hf). During this process a reactive atomization gas (i.e., Ar-O{sub 2}) was used to oxidize the powder surfaces during primary break-up and rapid solidification of the molten alloy. This resulted in envelopment of the powders by an ultra-thin (t dispersion strengthened microstructures were engineered from different powder particle size ranges, illustrating microstructural control as a function of particle solidification rate. Additionally, preliminary thermal-mechanical processing was used to develop a fine scale dislocation substructure for ultimate strengthening of the alloy.

The FeAl-based intermetallic alloys are of great interest because of their low density, low raw material cost, and excellent resistance to high-temperature oxidation, sulfidation, carburization, and molten salts. The applications based on these unique properties of FeAl require methods to melt and cast these alloys into complex-shaped castings and centrifugal cast tubes. This paper addresses the melting-related issues and the effect of chemistry on the microstructure and hardness of castings. It is concluded that the use of the Exo-Melt{trademark} process for melting and the proper selection of the aluminum melt stock can result in porosity-free castings. The FeAl alloys can be melted and cast from the virgin and revert stock. A large variation in carbon content of the alloys is possible before the precipitation of graphite flakes occurs. Titanium is a very potent addition to refine the grain size of castings. A range of complex sand castings and two different sizes of centrifugal cast tubes of the alloy have already been cast.

for Molecular Sciences, National Research Council, Chalk River Laboratories, Ontario, Canada K0J 1J0 K. Suzuki, the R(Fe; M) 12 compounds pro- vide much useful information on the crystal-#12;eld interac- tions at the R 3+ ion, the R{Fe and Fe{Fe exchange inter- actions and the complex interplay between the crystal

Fe(III)-bearing phyllosilicates can be important sources of Fe(III) for dissimilatory microbial iron reduction in clay-rich anoxic soils and sediments. The goal of this research was to isolate Fe(III) phyllosilicate phases, and if possible, Fe(III) oxide phases, from a weathered shale saprolite sediment in order to permit experimentation with each phase in isolation. Physical partitioning by density gradient centrifugation did not adequately separate phyllosilicate and Fe(III) oxide phases (primarily nanoparticulate goethite). Hence we examined the ability of chemical extraction methods to remove Fe(III) oxides without significantly altering the properties of the phyllosilicates. XRD analysis showed that extraction with oxalate alone or oxalate in the presence of added Fe(II) altered the structure of Fe-bearing phyllosilicates in the saprolite. In contrast, citrate-bicarbonate-dithionite (CBD) extraction at room temperature and 80C led to minimal alteration of phyllosilicate structures. Reoxidation of CDB-extracted sediment with H2O2 restored phyllosilicate structure (i.e. d-spacing) and redox speciation to conditions similar to that in the pristine sediment. The extent of microbial (Geobacter sulfurreducens) reduction of Fe(III) phyllosilicates isolated by CDB extraction (ca. 16 %) was comparable to what took place in pristine sediments as determined by Mossbauer spectroscopy (ca. 18 % reduction). These results suggest that materials isolated by CDB extraction and H2O2 reoxidation are appropriate targets for detailed studies of natural soil/sediment Fe(III) phyllosilicate reduction.

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Strategic Human Capital Management Plan September 2006 OFFICE OF FOSSIL ENERGY GOAL The Office of Fossil Energy (FE) will insure the adequate, efficient, and environmentally sound production, storage, and use of fossil fuels to meet our Nation's energy needs. FE HUMAN RESOURCES VISION FE's human capital vision is to be an employer of choice with a diverse, well-trained, and motivated workforce that will excel. The FE Human Capital Management Plan (HCMP) describes our mission and objectives, vision, human capital strategies and implementing framework, as well as a number of ongoing and new initiatives. We are implementing an integrated human capital system that plans and executes FE-wide human capital activities. INTRODUCTION FE views its human capital resources as its most important asset. Without a highly qualified and

The recently measured experimental data of Legnaro National Laboratories on neutron rich even isotopes of $^{62-66}$Fe with A=62,64,66 have been interpreted in the framework of large scale shell model. Calculations have been performed with a newly derived effective interaction GXPF1A in full $\\it{fp}$ space without truncation. The experimental data is very well explained for $^{62}$Fe, satisfactorily reproduced for $^{64}$Fe and poorly fitted for $^{66}$Fe. The increasing collectivity reflected in experimental data when approaching N=40 is not reproduced in calculated values. This indicates that whereas the considered valence space is adequate for $^{62}$Fe, inclusion of higher orbits from $\\it{sdg}$ shell is required for describing $^{66}$Fe.

BaFe{sub 2}As{sub 2} exhibits properties that are characteristic of the parent compounds of the newly discovered iron (Fe)-based high-T{sub c} superconductors. By combining real-space imaging of scanning tunneling microscopy and spectroscopy (STM+STS) with momentum-space quantitative low-energy electron diffraction (LEED), we have identified the surface plane of cleaved BaFe{sub 2}As{sub 2} crystals as the As terminated Fe-As layer - the plane where superconductivity occurs. LEED and STM+STS data on the BaFe{sub 2}As{sub 2}(001) surface indicate an ordered arsenic (As) terminated metallic surface without reconstruction or lattice distortion. It is surprising that STM images the different Fe-As orbitals associated with the orthorhombic structure, but not the As atoms in the surface plane.

An experimental approach for obtaining perpendicular FePt-SiOx thin films with a large height to diameter ratio FePt(L1{sub 0}) columnar grains is presented in this work. The microstructure for FePt-SiOx composite thin films as a function of oxide volume fraction, substrate temperature, and film thickness is studied by plan view and cross section TEM. The relations between processing, microstructure, epitaxial texture, and magnetic properties are discussed. By tuning the thickness of the magnetic layer and the volume fraction of oxide in the film at a sputtering temperature of 410 deg. C, a 16 nm thick perpendicular FePt film with {approx}8 nm diameter of FePt grains was obtained. The height to diameter ratio of the FePt grains was as large as 2. Ordering at lower temperature can be achieved by introducing a Ag sacrificial layer.

Single-phase multiferroic BiFeO{sub 3} ceramics were fabricated using pure precipitation-prepared BiFeO{sub 3} powder. Dielectric response of BiFeO{sub 3} ceramics was investigated over a wide range of temperature and frequency. Our results reveal that the BiFeO{sub 3} ceramic sintered at 700 deg. C exhibited high dielectric permittivity, and three dielectric relaxations were observed. A Debye-type dielectric relaxation at low temperatures (-50 to 20 deg. C) is attributed to the carrier hopping process between Fe{sup 2+} and Fe{sup 3+}. The other two dielectric relaxations at the temperature ranges 30-130 deg. C and 140-200 deg. C could be due to the grain boundary effect and the defect ordering and/or the conductivity, respectively.

A high resolution scanning Auger microscopic study has been performed on the intergranular fracture surfaces of Fe-12Mn steels in the as-austenitized condition. Fracture mode below the ductile-brittle transition temperature was intergranular whenever the alloy was quenched from the austenite field. The intergranular fracture surface failed to reveal any consistent segregation of P, S, As, O, or N. The occasional appearance of S or O on the fracture surface was found to be due to a low density precipitation of MnS and MnO/sub 2/ along the prior austenite boundaries. An AES study with Ar/sup +/ ion-sputtering showed no evidence of manganese enrichment along the prior austenite boundaries, but a slight segregation of carbon which does not appear to be implicated in the tendency toward intergranular fracture. Addition of 0.002% B with a 1000/sup 0/C/1h/WQ treatment yielded a high Charpy impact energy at liquid nitrogen temperature, preventing the intergranular fracture. High resolution AES studies showed that 3 at. % B on the prior austenite grain boundaries is most effective in increasing the grain boundary cohesive strength in an Fe-12Mn alloy. Trace additions of Mg, Zr, or V had negligible effects on the intergranular embrittlement. A 450/sup 0/C temper of the boron-modified alloys was found to cause tempered martensite embrittlement, leading to intergranular fracture. The embrittling treatment of the Fe-12Mn alloys with and without boron additions raised the ductile-brittle transition by 150/sup 0/C. This tempered martensite embrittlement was found to be due to the Mn enrichment of the fracture surface to 32 at. % Mn in the boron-modified alloy and 38 at. % Mn in the unmodified alloy. The Mn-enriched region along the prior austenite grain boundaries upon further tempering is believed to cause nucleation of austenite and to change the chemistry of the intergranular fracture surfaces. 61 figures.

Fluorination of the parent oxide, BaFeO{sub 3-{delta}}, with polyvinylidine fluoride gives rise to a cubic compound with a=4.0603(4) A at 298 K. {sup 57}Fe Moessbauer spectra confirmed that all the iron is present as Fe{sup 3+}. Neutron diffraction data showed complete occupancy of the anion sites, indicating a composition BaFeO{sub 2}F, with a large displacement of the iron off-site. The magnetic ordering temperature was determined as T{sub N}=645{+-}5 K. Neutron diffraction data at 4.2 K established G-type antiferromagnetism with a magnetic moment per Fe{sup 3+} ion of 3.95 {mu}{sub B}. However, magnetisation measurements indicated the presence of a weak ferromagnetic moment that is assigned to the canting of the antiferromagnetic structure. {sup 57}Fe Moessbauer spectra in the temperature range 10-300 K were fitted with a model of fluoride ion distribution that retains charge neutrality of the perovskite unit cell. - Graphical abstract: The cubic oxide fluoride of composition BaFeO{sub 2}F has been synthesised and characterised. Highlights: > Fluorination of BaFeO{sub 3-{delta}} with polyvinylidene fluoride gives a cubic oxide fluoride of composition BaFeO{sub 2}F. > BaFeO{sub 2}F adopts a canted antiferromagnetic structure and is different from the related phase of composition SrFeO{sub 2}F. > A model of fluoride ion distribution about iron in BaFeO{sub 2}F has been explored.

Site-specific configurations of Fe 3d electrons in a spinel ferrite were investigated by electron energy loss spectroscopy under electron channeling conditions. Site-specific spectra were extracted by applying a multivariate curve resolution (MCR) technique to the data set. An electronic difference in the Fe sites caused by ligand field splitting of trivalent Fe was probed. This demonstrated the promise of site-specific valence and spin state analysis in spintronics applications of spinel ferrites.

High temperature resistance of Fe-Cr-Ni alloy compositions to oxidative and/or sulfidative conditions is provided by the incorporation of about 1 to 8 wt % of Zr or Nb and results in a two-phase composition having an alloy matrix as the first phase and a fine grained intermetallic composition as the second phase. The presence and location of the intermetallic composition between grains of the matrix provides mechanical strength, enhanced surface scale adhesion, and resistance to corrosive attack between grains of the alloy matrix at temperatures of 500 to 1000/sup 0/C.

Li-alloy/FeS battery designs, based upon a well-characterized 300-Ah cell developed by Westinghouse Oceanic Division have been developed for four electric vans currently under development by the US Department of Energy and the Electric Power Research Institute. Computerized cell models were developed to calculate power, energy, weight, and volume values for a cell while varying key design parameters. Battery specifications and vehicle performance are given for the Chrysler TE Van, GMC G-Van, Ford ETX-II, and the Eaton DSEP. 2 refs., 1 fig., 2 tabs.

We present radial velocities, Fe, and Al abundances for 180 red giant branch (RGB) stars in the Galactic globular cluster Omega Centauri ($\\omega$ Cen). The majority of our data lie in the range 11.0$Al/Fe] ratios exhibit large star--to--star scatter for all populations, with the more than 1.0 dex range of [Al/Fe] decreasing for stars more metal--rich than [Fe/H]$\\sim$--1.4. The minimum [Al/Fe] abundance observed for all metallicity populations is [Al/Fe]$\\sim$+0.15. The maximum abundance of log $\\epsilon$(Al) is reached for stars with [Fe/H]$\\sim$--1.4 and does not increase further with stellar metallicity. We interpret these results as evidence for type II SNe providing the minimum [Al/Fe] ratio and a mass spectrum of intermediate mass asymptotic giant branch stars causing the majority of the [Al/Fe] scatter. These results seem to fit in the adopted scheme that star formation occurred in $\\omega$ Cen over $>$1 Gyr.

The Fe1 xVx alloy system exhibits the lowest known Gilbert relaxation rate of any ferromagnetic metal or binary alloy with G1 435MHz at x1 427% V. Low relaxation rates are of particular interest in modern spin electronic applications involving spin torque. The transport spin polarization of a series of sputtered epitaxial Fe1 xVx samples was measured using point contact Andreev reflection. Values of the transport spin polarization agree well with those measured for pure Fe and are independent of composition. The results indicate that the substitution of up to 50% of V for Fe does not reduce the spin polarization in the alloy.

Inelastic neutron scattering and nuclear resonant inelastic x-ray scattering were used to determine the phonon densities of states of face-centered-cubic Ni-Fe alloys. Increasing Fe concentration results in an average softening of the phonon modes. Chemical ordering of the Ni0.72Fe0.28 alloy results in a reduction of the partial vibrational entropy of the Fe atoms but does not significantly change the partial vibrational entropy of the Ni atoms. Changes in the phonon densities of states with composition and chemical ordering are discussed and analyzed with a cluster expansion method.

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Using genetic algorithm with first-principle calculations, we searched for low-energy crystal structures of Fe1?xCox alloys. We found that Fe1?xCox alloys are highly configurationally degenerate with many additional off-stoichiometric stable structures to the well-known B2 structure. The average magnetic moment of Fe atom increases with concentration of Co in the alloy, while that of Co atom is almost constant, which are consistent with experiments and earlier studies. The magnetic moment of Fe atom is strongly dependent on the number of Co nearest neighbor and it increases with this number.

Vanadium is shown to substitute for iron in the olivine LiFePO{sub 4} up to at least 10 mol %, when the synthesis is carried out at 550 C. In the solid solution LiFe{sub 1-3y/2}V{sub y}PO{sub 4}, the a and b lattice parameters and cell volume decrease with increasing vanadium content, while the c lattice parameter increases slightly. However, when the synthesis is performed at 650 C, a NASICON phase, Li{sub 3}V{sub 2}(PO{sub 4}){sub 3}, is also formed, showing that solid solution is a function of the synthesis temperature. X-ray absorption near-edge structure indicates vanadium is in the 3+ oxidation state and in an octahedral environment. Magnetic studies reveal a shift of the antiferromagnetic ordering transition toward lower temperatures with increasing vanadium substitution, confirming solid solution formation. The addition of vanadium enhances the electrochemical performance of the materials especially at high current densities.

Gas atomization reaction synthesis was employed as a simplified method for processing oxide dispersion forming precursor Fe-based powders (e.g., Fe–Cr–Y–Hf). During this process a reactive atomization gas (i.e., Ar–O2) was used to oxidize the powder surfaces during primary break-up and rapid solidification of the molten alloy. This resulted in envelopment of the powders by an ultra-thin (t < 50 nm) metastable Cr-enriched oxide shell that was used as a vehicle to transport oxygen into the consolidated microstructure. Subsequent elevated temperature heat treatment promoted thermodynamically driven oxygen exchange reactions between trapped films of Cr-enriched oxide and internal (Y, Hf)-enriched intermetallic precipitates, resulting in highly stable nano-metric mixed oxide dispersoids (i.e., Y–Hf–O) that were identified with X-ray diffraction. Transmission electron microscopy and atom probe tomography results also revealed that the size and distribution of the dispersoids were found to depend strongly on the original rapidly solidified microstructure. To exploit this, several oxide dispersion strengthened microstructures were engineered from different powder particle size ranges, illustrating microstructural control as a function of particle solidification rate. Additionally, preliminary thermal–mechanical processing was used to develop a fine scale dislocation substructure for ultimate strengthening of the alloy.

Al-rich Fe-Al systems (FeAl2, Fe2 Al5 and Fe4Al13) and Al20V2Eu have complicated structures with quasicrystal-like features making these materials potentially of interest for magnetic behavior. However, there is not much work on these materials. To study the variety of magnetic properties, we use NMR, magnetic susceptibility, specific heat and other methods in this work. The microscopic electronic and magnetic properties of the Al-rich Fe-Al system and Al20V2Eu have been studied via 27Al NMR at temperatures between 4 and 500 K. The results of spin lattice relaxation rates reveal a pseudogap in Fe4Al13 and Fe2Al5 around the Fermi-level in the density of states. Besides, a square well gap with a width of 2 meV and center at Fermi energy was detected by specific heat measurements in Fe2Al5. Both Fe4 Al13 and Fe2Al5 are non-magnetic systems with dilute magnetic defects, while FeAl2 is a concentrated local magnetic moment system. In Al20V2Eu, a crossover was observed in NMR, magnetization and transport measurements. Above 40 K, Eu(2+) local magnetic moments dominate; below 40 K, a transition to a Kondo regime is observed, where the Kondo effect leads to the reduction of localized moments due to the formation of a spin-compensated Kondo cloud. With increasing magnetic field, f electrons participate more and more in excitations near the Fermi level and a heavy-Fermion state was observed through specific heat measurements at high magnetic field.

Wide applications of zircaloys, stainless steels and their interactions in nuclear reactors require the knowledge on phase stability and thermodynamic property of the Fe-Cr-Zr system. This knowledge is also important to develop new Zr-contained Fe-Cr ferritic steels. This work aims at developing thermodynamic models for describing phase stability and thermodynamic property of the Fe-Cr-Zr system using the Calphad approach coupled with experimental study. Thermodynamic descriptions of the Fe-Cr and Cr-Zr systems were either directly adopted or slightly modified from literature. The Fe-Zr system has been remodeled to accommodate recent ab-initio calculation of formation enthalpies of various Fe-Zr compounds. Reliable ternary experimental data and thermodynamic models were mainly available in the Zr-rich region. Therefore, selected ternary alloys located in the vicinity of the eutectic valley of (Fe,Cr,Zr) and (Fe,Cr)2Zr laves phase in the Fe-rich region have been experimentally investigated in this study. Microstructure has been examined by using scanning electron microscope, energy-dispersive Xray spectroscopy and X-ray diffraction. These experimental results, along with the literature data were then used to develop thermodynamic models for phases in the Fe-Cr-Zr system. Calculated phase equilibria and thermodynamic properties of the ternary system yield satisfactory agreements with available experimental data, which gives the confidence to use these models as building blocks for developing a Zr, Fe and Cr contained multicomponent thermodynamic database for broader applications in nuclear reactors.

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Epitaxial growth of MgO barrier on Si is of technological importance due to the symmetry filtering effect of the MgO barrier in conjunction with bcc-ferromagnets. We study the epitaxial growth of MgO on (100)-Si by molecular beam epitaxy. MgO matches Si with 4:3 cell ratio, which renders Fe to be 45 deg. rotated relative to Si, in sharp contrast to the direct epitaxial growth of Fe on Si. The compressive strains from Si lead to the formation of small angle grain boundaries in MgO below 5 nm, and also affect the transport characteristics of Fe/MgO/Fe magnetic tunnel junctions formed on top.

The thermodynamics of mixing and its dependence on cation distribution in the Fe3O4– 14 Fe2TiO4 (magnetite-ulvöspinel) spinel solid solution were studied using high temperature oxide melt solution calorimetry and a range of structural and spectroscopic probes. The enthalpies of formation of ilmenite and ulvöspinel from the oxides and from the elements were obtained using oxidative drop solution calorimetry at 973 K in molten sodium molybdate. The enthalpy of mixing, determined from the fit to the measured enthalpies of drop solution calorimetry, is endothermic and represented by a quadratic formalism, ?Hmix = (22.60 ± 8.46)x(1–x) kJ/mol, where x is the mole fraction of ulvöspinel. The entropies of mixing are more complex than those for a regular solution and have been calculated based on average measured and theoretical cation distributions. Calculated free energies of mixing show evidence for a solvus at low temperature in good agreement with that observed experimentally.

Two substructuring methods are investigated in order to allow for the use of the eXtended Finite Element Method (X-FEM) within commercial finite element (FE) codes without need for modifying their kernel. The global FE problem is decomposed into two ... Keywords: FETI, Fracture mechanics, Substructuring methods, X-FEM

Synthesis parameters are optimized in order to grow single crystals of multiferroic BiFeO{sub 3}. 2 to 3 mm size pyramid (tetrahedron) shaped single crystals were successfully obtained by solvothermal method. Scanning electron microscopy with EDAX confirmed the phase formation. Raman scattering spectra of bulk BiFeO3 single crystals have been measured which match well with reported spectra.

In order to calibrate advanced FE Model experimental tests on masonry wall panel specimens in shear as well as on some panels strengthened by ductile steel are used. Application of finite element material models to simulate the behavior of masonry is ... Keywords: FE model, innovative retrofitting techniques, masonry shear panels, material models

An automated pilot plant has been designed and commissioned to carry out online/real-time data acquisition and control for the Cr^6^+-Fe^2^+ reduction process. Simulated data from the Cr^6^+-Fe^2^+ model derived are validated with online data and laboratory ... Keywords: Batch system, Neural Networks, ORP, Redox process

Assembly and Evolution of Complex Fe-S Clusters Assembly and Evolution of Complex Fe-S Clusters as Revealed by X-ray Crystallography Complex Fe-S cluster-containing enzymes are ubiquitous in nature where they are involved in a number of fundamental reactions for life including carbon dioxide fixation, nitrogen fixation, and hydrogen metabolism. One of the more complex and unusual biological clusters is found in the [FeFe]-hydrogenase. The active-site H-cluster in these enzymes has a [4Fe-4S] subcluster bridged via a cysteine thiolate to a 2Fe subcluster, which in turn is coordinated by CO and CN- ligands and a bridging dithiolate ligand (1). The biologically unique CO and CN- ligands finely tune the 2Fe subcluster of the H-cluster making it able to efficiently catalyze the activation of molecular H2 through the reversible reaction H2 2H+ + 2e-. How this complex metallocluster is assembled in nature is intriguing and the precise mechanism by which various enzymes, scaffolds, and carriers carry out H-cluster maturation is unknown.

We have measured electron impact ionization from the ground state of Fe{sup 9+} and Fe{sup 10+} over the relative electron-ion collision energy ranges 200-1900 eV and 250-1800 eV, respectively. The ions were confined in an ion storage ring long enough for essentially all metastable levels to radiatively relax to the ground state. For single ionization, we find a number of discrepancies between the existing theoretical cross sections and our results. The calculations appear to neglect some excitation-autoionization (EA) channels, particularly from n = 3 to n' excitations, which are important near threshold, and those from n = 2 {yields} 3 excitations, which contribute at about 650 eV. Conversely, at higher energies the calculations appear to overestimate the importance of EA channels due to excitation into levels where n {>=} 4. The resulting experimental rate coefficients agree with the most recent theory for Fe{sup 9+} to within 16% and for Fe{sup 10+} to within 19% at temperatures where these ions are predicted to form in collisional ionization equilibrium. We have also measured double ionization of Fe{sup 9+} forming Fe{sup 11+} in the energy range 450-3000 eV and found that although there is an appreciable cross section for direct double ionization, the dominant mechanism appears to be through direct ionization of an inner shell electron producing an excited state that subsequently stabilizes through autoionization.

Ontario Power Generation Motion to Intervene & Comments in FE Ontario Power Generation Motion to Intervene & Comments in FE Docket No. 99-1 Ontario Power Generation Motion to Intervene & Comments in FE Docket No. 99-1 Ontario Power Generation hereby moves to intervene in, and comments on, the DOE's proposed open access requirements for International Electric Transmission Facilities. Ontario Power Company Motion to Intervene & Comments in FE Docket No. 99-1 More Documents & Publications Motion to Intervene and Comments of Public Utility District No. 1 (Pend Oreille County, Washington) on PP 99-1 Notice of Intent to Amend Presidential Permit Motion to intervene and comments of the energy services group of Hydro-Quebec and H.Q. Energy Services (U.S.) Inc, on FE 99-1 Joint Motion to Intervene of Northern States Power Company (Minnesota) et

In order to demonstrate the strong and proper exchange coupling between bottom magnetic layer and capping magnetic layer in FePt-based exchange-coupled composite (ECC) perpendicular recording media, we have investigated the thermal stability, writability, degree of exchange coupling, and ECC gain factor of FePt-based ECC media as a function of the thickness of the capping FePt layer. With increasing the thickness of capping FePt layer, both thermal stability and media writability increase simultaneously as a result of the change from strong exchange coupling to proper exchange coupling. The proper exchange-coupled FePt ECC is a promising candidate for future high-density perpendicular recording.

Approximately 2.8 Myr before the present our planet was subjected to the debris of a supernova explosion. The terrestrial proxy for this event was the discovery of live atoms of {sup 60}Fe in a deep-sea ferromanganese crust. The signature for this supernova event should also reside in magnetite (Fe{sub 3}O{sub 4}) microfossils produced by magnetotactic bacteria extant at the time of the Earth-supernova interaction, provided the bacteria preferentially uptake iron from fine-grained iron oxides and ferric hydroxides. Using empirically derived microfossil concentrations in a deep-sea drill core, we deduce a conservative estimate of the {sup 60}Fe fraction as {sup 60}Fe/Fe Almost-Equal-To 3.6 Multiplication-Sign 10{sup -15}. This value sits comfortably within the sensitivity limit of present accelerator mass spectrometry capabilities.

LiFePO{sub 4} is a potential candidate for the cathode material of the lithium secondary batteries. A co-precipitation method was adopted to prepare LiFePO{sub 4} because it is simple and cheap. Nitrogen gas was needed to prevent oxidation of Fe{sup 2+} in the aqueous solution. The co-precipitated precursor shows the high reactivity with the reductive gas, and the single phase of LiFePO{sub 4} is successfully synthesized with the aid of carbon under less reductive conditions. LiFePO{sub 4} fine powder prepared by co-precipitation method shows high rate capability, impressive specific capacity and cycle property.

FE-I4 is the new ATLAS pixel readout chip for the upgraded ATLAS pixel detector. Designed in a CMOS 130 nm feature size process, the IC is able to withstand higher radiation levels compared to the present generation of ATLAS pixel Front-End FE-I3, and can also cope with higher hit rate. It is thus suitable for intermediate radii pixel detector layers in the High Luminosity LHC environment, but also for the inserted layer at 3.3 cm known as the 'Insertable B-Layer' project (IBL), at a shorter timescale. In this paper, an introduction to the FE-I4 will be given, focusing on test results from the first full size FE-I4A prototype which has been available since fall 2010. The IBL project will be introduced, with particular emphasis on the FE-I4-based module concept.

Dominion Cove Point LNG, LP - FE Dkt. No 11-128-LNG Dominion Cove Point LNG, LP - FE Dkt. No 11-128-LNG Dominion Cove Point LNG, LP - FE Dkt. No 11-128-LNG ORDER CONDITIONALLY GRANTING LONG-TERM MULTI-CONTRACT AUTHORIZATION TO EXPORT LIQUEFIED NATURAL GAS BY VESSEL FROM THE COVE POINT LNG TERMINAL TO NON-FREE TRADE AGREEMENT NATIONS Based on a review of the complete record and for the reasons set forth below, DOE/FE has concluded that the opponents of the DCP Application have not demonstrated that the requested authorization will be inconsistent with the public interest and finds that the exports proposed in this Application are likely to yield net economic benefits to the United States. DOE/FE further finds that DCP's proposed exports on behalf of other entities should be conditionally authorized at a volumetric rate not to exceed the

the Northeast Power Coordinating Council FE Docket No. the Northeast Power Coordinating Council FE Docket No. 99-1 Comments of the Northeast Power Coordinating Council FE Docket No. 99-1 On July 21, 1999 the Department of Energy, hereinafter "DOE" or the "Department" issued its Notice of Proposed Amendment to the Predidential Permits and Export Authorizations and Delegation and Assignment to the Federal Energy Regulatory Commission. Comments of the Northeast Power Coordinating Council FE Docket No. 99-1 More Documents & Publications Joint comments of consumers energy company and the detriot edison company on notice of proposed amendment. FE Docket No. 99-1 Motion to Intervene and Comments of Public Utility District No. 1 (Pend Oreille County, Washington) on PP 99-1 Notice of Intent to Amend

Vast Energy Resource in Residual Oil Zones, FE Study Says Vast Energy Resource in Residual Oil Zones, FE Study Says Vast Energy Resource in Residual Oil Zones, FE Study Says July 20, 2012 - 1:00pm Addthis Washington, DC - Billions of barrels of oil that could increase domestic supply, help reduce imports, and increase U.S. energy security may be potentially recoverable from residual oil zones, according to initial findings from a study supported by the U.S. Department of Energy's Office of Fossil Energy (FE). The recently completed study, conducted by researchers at the University of Texas-Permian Basin (UTPB), is one of several FE-supported research projects providing insight that will help tap this valuable-but-overlooked resource. Residual oil zones, called ROZs, are areas of immobile oil found below the oil-water contact of a reservoir. ROZs are similar to reservoirs in the

Carbon Capture and Storage News Carbon Capture and Storage News FE Carbon Capture and Storage News RSS November 7, 2013 Energy Department Invests to Drive Down Costs of Carbon Capture, Support Reductions in Greenhouse Gas Pollution 18 Innovative Carbon Capture Projects Will Help Make Fossil Energy Use Cleaner, Safer and More Sustainable as Part of the Obama Administration's Climate Action Plan August 15, 2013 Historically Black Colleges and Universities Receive Funds for Fossil Energy Research Five fossil energy-related projects that will help maintain the nation's energy portfolio while also providing educational and research training opportunities for tomorrow's scientists and engineers have been selected for funding by the U.S. Department of Energy (DOE). August 14, 2013 DOE Selects Ten Projects to Conduct Advanced Turbine Technology Research

Sample records for fe ru os from the National Library of Energy Beta (NLEBeta)

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they are not comprehensive nor are they the most current set.
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The lithium iron phosphate chemistry is plagued by the poor conductivity and slow diffusion in the solid phase. In order to alleviate these problems, various research groups have adopted different strategies including decreasing the particle sizes, increasing the carbon content, and adding dopants. In this study, we obtained LiFePO{sub 4} powders and/or electrodes from six different sources and used a combined model-experimental approach to compare the performance. Samples ranged from 0.4% to 15% ''in-situ'' carbon. In addition, particle sizes varied by as much as an order of magnitude between samples. The study detailed in this manuscript allows us to provide insight into the relative importance of the conductivity of the samples compared to the particle size, the impact of having a distribution in particle sizes, and ideas for making materials in order to maximize the power capability of this chemistry.

The lithium iron phosphate chemistry is plagued by the poor conductivity and slow lithium diffusion in the solid phase. In order to alleviate these problems, various research groups have adopted different strategies including decreasing the particle sizes, increasing the carbon content, and adding dopants. In this study we obtained LiFePO4 electrodes from six different sources and used a combined model-experimental approach to compare the performance. Samples ranged from one with no carbon coating to one with 15 percent coating. In addition, particle sizes varied by as much as a order of magnitude between samples. The study detailed in this manuscript allows us to provide insight into the relative importance of the conductivity of the samples compared to the particle size, the impact of dopant on performance and ideas for making materials in order to maximize the power capability of this chemistry.

Carbon Capture and Storage News Carbon Capture and Storage News FE Carbon Capture and Storage News RSS June 9, 2010 Award-Winning DOE Technology Scores Success in Carbon Storage Project The ability to detect and track the movement of carbon dioxide in underground geologic storage reservoirs -- an important component of carbon capture and storage technology -- has been successfully demonstrated at a U.S. Department of Energy New Mexico test site. April 20, 2010 Research Experience in Carbon Sequestration 2010 Now Accepting Applications Students and early career professionals can gain hands-on experience in areas related to carbon capture and storage by participating in the Research Experience in Carbon Sequestration program. March 15, 2010 Illinois CO2 Injection Project Moves Another Step Forward

July 9, 2013 July 9, 2013 NETL Innovations Recognized with R&D 100 Awards Two technologies advanced by the FE's National Energy Technology Laboratory in collaboration with strategic partners have been recognized by R&D Magazine as among the 100 most technologically significant products introduced into the commercial marketplace within the past year. June 17, 2013 An innovative airfoil manufacturing technology that promises to improve the performance of state-of-the-art gas turbines has been commercialized through research sponsored by the U.S. Department of Energy. Photo courtesy of Mikro Systems, Inc. DOE-Sponsored Research Improves Gas Turbine Performance Small Business Innovative Research Grants Achieve Commercialization Goals for Novel Gas Turbine Manufacturing Technology

Oil and Natural Gas News Oil and Natural Gas News FE Oil and Natural Gas News RSS November 15, 2013 Energy Department Authorizes Additional Volume at Proposed Freeport LNG Facility to Export Liquefied Natural Gas The Department of Energy announced the conditional authorization for Freeport LNG Expansion, L.P. and FLNG Liquefaction, LLC to export liquefied natural gas to countries that do not have a Free Trade Agreement with the U.S. This is the fifth conditional authorization the Department has announced. August 23, 2013 DOE and the Bureau of Safety and Environmental Enforcement Sign Memorandum of Collaboration for Safe Offshore Energy Development The Department of Energy's (DOE) Office of Fossil Energy and The Bureau of Safety and Environmental Enforcement (BSEE) signed a Memorandum of

PSRP Name: Fossil Energy Research & Development (R&D) PSRP Name: Fossil Energy Research & Development (R&D) PSRP Lead Program Office and/or Laboratory/Site Office: Office of Fossil Energy (FE)/National Energy Technology Laboratory (NETL) PSRP Lead Manager: Victor K. Der Phone: (202) 586-6660 E-mail: victor.der@hq.doe.gov Address: 1000 Independence Avenue, SW; Washington DC 20585 Does this program align with an existing PART program? Y Does this program align with an existing CFDA program? N 1. Objectives Program Purpose The American Recovery and Reinvestment Act of 2009 (ARRA, or Recovery Act) provides an additional $3,400,000,000 for Fossil Energy Research and Development to develop and demonstrate CCS technology, in partnership with industry, and to transition this technology to

Metglas{sup TM} 2826MB foils of 25-30 {mu}m thickness with the composition of Fe{sub 40}Ni{sub 38}Mo{sub 4}B{sub 18} have been used for magnetoelastic sensors in various applications over many years. This work is directed at the investigation of {approx}3 {mu}m thick iron-nickel-molybdenum-boron (FeNiMoB) thin films that are intended for integrated microsystems. The films are deposited on Si substrate by co-sputtering of iron-nickel (FeNi), molybdenum (Mo), and boron (B) targets. The results show that dopants of Mo and B can significantly change the microstructure and magnetic properties of FeNi materials. When FeNi is doped with only Mo its crystal structure changes from polycrystalline to amorphous with the increase of dopant concentration; the transition point is found at about 10 at. % of Mo content. A significant change in anisotropic magnetic properties of FeNi is also observed as the Mo dopant level increases. The coercivity of FeNi films doped with Mo decreases to a value less than one third of the value without dopant. Doping the FeNi with B together with Mo considerably decreases the value of coercivity and the out-of-plane magnetic anisotropy properties, and it also greatly changes the microstructure of the material. In addition, doping B to FeNiMo remarkably reduces the remanence of the material. The film material that is fabricated using an optimized process is magnetically as soft as amorphous Metglas{sup TM} 2826MB with a coercivity of less than 40 Am{sup -1}. The findings of this study provide us a better understanding of the effects of the compositions and microstructure of FeNiMoB thin film materials on their magnetic properties.

An inert anode for the electrolytic production of metals such as aluminum is disclosed. The inert anode includes a ceramic oxide material preferably made from NiO, Fe.sub.2 O.sub.3 and ZnO. The inert anode composition may comprise the following mole fractions of NiO, Fe.sub.2 O.sub.3 and ZnO: 0.2 to 0.99 NiO; 0.0001 to 0.8 Fe.sub.2 O.sub.3 ; and 0.0001 to 0.3 ZnO. The inert anode may optionally include other oxides and/or at least one metal phase, such as Cu, Ag, Pd, Pt, Au, Rh, Ru, Ir and/or Os. The Ni--Fe--Co--O ceramic material exhibits very low solubility in Hall cell baths used to produce aluminum.

An inert anode for the electrolytic production of metals such as aluminum is disclosed. The inert anode includes a ceramic oxide material preferably made from NiO, Fe.sub.2 O.sub.3 and CoO. The inert anode composition may comprise the following mole fractions of NiO, Fe.sub.2 O.sub.3 and CoO: 0.15 to 0.99 NiO; 0.0001 to 0.85 Fe.sub.2 O.sub.3 ; and 0.0001 to 0.45 CoO. The inert anode may optionally include other oxides and/or at least one metal phase, such as Cu, Ag, Pd, Pt, Au, Rh, Ru, Ir and/or Os. The Ni--Fe--Co--O ceramic material exhibits very low solubility in Hall cell baths used to produce aluminum.

[FeFe]-hydrogenases (HYDA) link the production of molecular H{sub 2} to anaerobic metabolism in many green algae. Similar to Chlamydomonas reinhardtii, Chlorella variabilis NC64A (Trebouxiophyceae, Chlorophyta) exhibits [FeFe]-hydrogenase (HYDA) activity during anoxia. In contrast to C. reinhardtii and other chlorophycean algae, which contain hydrogenases with only the HYDA active site (H-cluster), C. variabilis NC64A is the only known green alga containing HYDA genes encoding accessory FeS cluster-binding domains (F-cluster). cDNA sequencing confirmed the presence of F-cluster HYDA1 mRNA transcripts, and identified deviations from the in silico splicing models. We show that HYDA activity in C. variabilis NC64A is coupled to anoxic photosynthetic electron transport (PSII linked, as well as PSII-independent) and dark fermentation. We also show that the in vivo H{sub 2}-photoproduction activity observed is as O2 sensitive as in C. reinhardtii. The two C. variabilis NC64A HYDA sequences are similar to homologs found in more deeply branching bacteria (Thermotogales), diatoms, and heterotrophic flagellates, suggesting that an F-cluster HYDA is the ancestral enzyme in algae. Phylogenetic analysis indicates that the algal HYDA H-cluster domains are monophyletic, suggesting that they share a common origin, and evolved from a single ancestral F-cluster HYDA. Furthermore, phylogenetic reconstruction indicates that the multiple algal HYDA paralogs are the result of gene duplication events that occurred independently within each algal lineage. Collectively, comparative genomic, physiological, and phylogenetic analyses of the C. variabilis NC64A hydrogenase has provided new insights into the molecular evolution and diversity of algal [FeFe]-hydrogenases.

Classical molecular force-field parameters describing the structure and motion of metal clusters in [NiFe] hydrogenase enzymes can be used to compare the dynamics and thermodynamics of [NiFe] under different oxidation, protonation, and ligation circumstances. Using density functional theory (DFT) calculations of small model clusters representative of the active site and the proximal, medial, and distal Fe/S metal centers and their attached protein side chains, we have calculated classical force-field parameters for [NiFe] in reduced and oxidized states, including internal coordinates, force constants, and atom-centered charges. Derived force constants revealed that cysteinate ligands bound to the metal ions are more flexible in the Ni-B active site, which has a bridging hydroxide ligand, than in the Ni-C active site, which has a bridging hydride. Ten nanosecond all-atom, explicit-solvent MD simulations of [NiFe] hydrogenase in oxidized and reduced catalytic states established the stability of the derived force-field parameters in terms of C{alpha} and metal cluster fluctuations. Average active site structures from the protein MD simulations are consistent with [NiFe] structures from the Protein Data Bank, suggesting that the derived force-field parameters are transferrable to other hydrogenases beyond the structure used for testing. A comparison of experimental H{sub 2}-production rates demonstrated a relationship between cysteinate side chain rotation and activity, justifying the use of a fully dynamic model of [NiFe] metal cluster motion.

The atomic-scale structural changes in an {alpha}-Fe2O3 (hematite) (0 0 0 1) surface induced by sulfidation and subsequent oxidation processes were studied by X-ray photoemission spectroscopy, LEED, and X-ray standing wave (XSW) measurements. Annealing the {alpha}-Fe2O3(0 0 0 1) with a H2S partial pressure of 1 x 10-7 Torr produced iron sulfides on the surface as the sulfur atoms reacted with the substrate Fe ions. The oxidation state of the substrate Fe changed from 3+ to 2+ as a result of the sulfidation. The XSW measured distance of the sulfur atomic-layer from the unrelaxed substrate oxygen layer was 3.16 Angstroms. The sulfide phase consisted of three surface domains identified by LEED. Formation of the two-dimensional FeS2 phase with structural parameters consistent with an outermost layer of (1 1 1) pyrite has been proposed. Atomic oxygen exposure oxidized the surface sulfide to a sulfate (SO{sup 2-}{sub 4}) and regenerated the {alpha}-Fe2O3(0 0 0 1) substrate, which was indicated by a (1 x 1) LEED pattern and the re-oxidization of Fe to 3+.

LiFePO{sub 4}, Li{sub 0.98}Mg{sub 0.01}FePO{sub 4}, and Li{sub 0.96}Ti{sub 0.01}FePO{sub 4} were synthesized via a sol-gel method, using a variety of processing conditions. For comparison, LiFePO{sub 4} was also synthesized from iron acetate by a solid state method. The electrochemical performance of these materials in lithium cells was evaluated and correlated to mean primary particle size and residual carbon structure in the LiFePO{sub 4} samples, as determined by Raman microprobe spectroscopy. For materials with mean agglomerate sizes below 20 {micro}m, an association between structure and crystallinity of the residual carbon and improved utilization was observed. Addition of small amounts of organic compounds or polymers during processing results in carbon coatings with higher graphitization ratios and better electronic properties on the LiFePO{sub 4} samples and improves cell performance in some cases, even though total carbon contents remain very low (<2%). In contrast, no performance enhancement was seen for samples doped with Mg or Ti. These results suggest that it should be possible to design high power LiFePO{sub 4} electrodes without unduly compromising energy density by optimizing the carbon coating on the particles.

The potential applications of mixed-conducting ceramic oxides include solid-oxide fuel cells, rechargeable batteries, gas sensors and oxygen-permeable membranes. Several perovskite-derived mixed Sr-Fe-Co oxides show not only high electrical-conductivity but also appreciable oxygen-permeability at elevated temperatures. For example, dense ceramic membranes of SrFeCo{sub 0.5}O{sub 3{minus}{delta}} can be used to separate oxygen from air without the need for external electrical circuitry. The separated oxygen can be directly used for the partial oxidation of methane to produce syngas. Quantitative phase analysis of the SrFeCo{sub 0.5}O{sub 3{minus}{delta}} material has revealed that it is predominantly composed of two Sr-Fe-Co-O systems, Sr{sub 4}Fe{sub 6{minus}x}Co{sub x}O{sub 13} and SrFe{sub 1{minus}x}Co{sub x}O{sub 3{minus}{delta}}. Here we report preliminary structural findings on the SrFe{sub 1{minus}x}Co{sub x}O{sub 3{minus}{delta}} (0 {le} x {le} 0.3) system.

Computational and experimental studies were performed to explore heterogeneous reduction of U6+ by structural Fe2+ at magnetite (Fe3O4) surfaces. Molecular Fe-Fe-U models representing a uranyl species adsorbed in a biatomic bidentate fashion to an iron surface group were constructed. Various possible charge distributions in this model surface complex were evaluated in terms of their relative stabilities and electron exchange rates using ab initio molecular orbital methods. Freshly-cleaved, single crystals of magnetite with different initial Fe2+/Fe3+ ratios were exposed to uranyl-nitrate solution (pH ~ 4) for 90 hours. X ray photoelectron spectroscopy and electron microscopy indicated the presence of a mixed U6+/U5+ precipitate heterogeneously nucleated and grown on stoichiometric magnetite surfaces, but only the presence of sorbed U6+ and no precipitate on sub-stoichiometric magnetite surfaces. Calculated electron transfer rates indicate that sequential multi-electron uranium reduction is not kinetically limited by conductive electron resupply to the adsorption site. Both theory and experiment point to local structural Fe2+ density and sterically accessible uranium coordination environments as key controls on uranium reduction extent and rate. Uranium incorporation in solid phases where its coordination is constrained to the 6-fold uranate type should widen the stability field of U5+ relative to U6+. If uranium cannot acquire 8 fold coordination then reduction may proceed to U5+ but not necessarily U4+.

Sample records for fe ru os from the National Library of Energy Beta (NLEBeta)

Note: This page contains sample records for the topic "fe ru os" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.

Mackinawite is a naturally occurring layer-type FeS mineral important in biogeochemical cycles and, more recently, in the development of microbial fuel cells. Conflicting results have been published as to the magnetic properties of this mineral, with Moessbauer spectroscopy indicating no magnetic ordering down to 4.2 K but density functional theory (DFT) predicting an antiferromagnetic ground state, similar to the Fe-based high-temperature superconductors with which it is isostructural and for which it is known that magnetism is suppressed by strong itinerant spin fluctuations. We investigated this latter possibility for mackinawite using photoemission spectroscopy, near-edge x-ray absorption fine structure spectroscopy, and DFT computations. Our Fe 3{sub s} core-level photoemission spectrum of mackinawite showed a clear exchange-energy splitting (2.9 eV) consistent with a 1 {micro}{sub B} magnetic moment on the Fe ions, while the Fe L-edge x-ray absorption spectrum indicated rather delocalized Fe 3{sub d} electrons in mackinawite similar to those in Fe metal. Our DFT computations demonstrated that the ground state of mackinawite is single-stripe antiferromagnetic, with an Fe magnetic moment (2.7 {micro}{sub B}) that is significantly larger than the experimental estimate and has a strong dependence on the S height and lattice parameters. All of these trends signal the existence of strong itinerant spin fluctuations. If spin fluctuations prove to be mediators of electron pairing, we conjecture that mackinawite may be one of the simplest Fe-based superconductors.

NdBaFe{sub 2}O{sub 5} above and below Verwey transition is studied by synchrotron X-ray powder diffraction and Moessbauer spectroscopy and compared with GdBaFe{sub 2}O{sub 5} that adopts a higher-symmetry charge-ordered structure typical of the Sm-Ho variants of the title phase. Differences are investigated by Moessbauer spectroscopy accounting for iron valence states at their local magnetic and ionic environments. In the charge-ordered state, the orientation of the electric-field gradient (EFG) versus the internal magnetic field (B) agrees with experiment only when contribution from charges of the ordered d{sub xz} orbitals of Fe{sup 2+} is included, proving thus the orbital ordering. The EFG magnitude indicates that only some 60% of the orbital order occurring in the Sm-Ho variants is achieved in NdBaFe{sub 2}O{sub 5}. The consequent diminishing of the orbit contribution (of opposite sign) to the field B at the Fe{sup 2+} nucleus explains why B is larger than for the Sm-Ho variants. The decreased orbital ordering in NdBaFe{sub 2}O{sub 5} causes a corresponding decrease in charge ordering, which is achieved by decreasing both the amount of the charge-ordered iron states in the sample and their fractional valence separation as seen by the Moessbauer isomer shift. The charge ordering in NdBaFe{sub 2}O{sub 5+w} is more easily suppressed by the oxygen nonstoichiometry (w) than in the Sm-Ho variants. Also the valence mixing into Fe{sup 2.5+} is destabilized by the large size of Nd. The orientation of the EFG around this valence-mixed iron can only be accounted for when the valence-mixing electron is included in the electrostatic ligand field. This proves that the valence mixing occurs between the two iron atoms facing each other across the structural plane of the rare-earth atoms. -- Graphical Abstract: Moessbauer spectrum detects ordering of d{sub xz} orbitals of Fe{sup II}O{sub 5} via the electric-field gradient (EFG) of the orbital, which makes the main component of the total EFG parallel with the magnetic moment B. Display Omitted

First-principles simulated tensile tests have been performed on Fe with a P-segregated grain boundary to investigate the nature of the bond mobility mechanism in grain boundary embrittlement. The first site for bond breaking was the Fe-P bond, despite its high charge density. This is because the Fe-P bond exhibited the covalentlike characteristics of a localized bonding and the mobility of electrons was reduced. The breaking of the Fe-P bond accelerated the breaking of the Fe-Fe bond around the Fe-P bond because the Fe-P bond breaking affected the electron density of states of the Fe-Fe bond. Thus, P segregation enhanced the grain boundary embrittlement in Fe.

Epitaxially grown FeMn/Ni/Cu(001) films are investigated by Photoemission Electron Microscopy and Magneto-Optic Kerr Effect. We find that as the FeMn overlayer changes from paramagnetic to antiferromagnetic state, it could switch the ferromagnetic Ni spin direction from out-of-plane to in-plane direction of the film. This phenomenon reveals a new mechanism of creating magnetic anisotropy and is attributed to the out-of-plane spin frustration at the FeMn-Ni interface.

Epitaxial Fe-Ga thin films in disordered bcc {alpha}-Fe crystal structure (A2) have been grown on GaAs(001) by molecular beam epitaxy. The saturated magnetization (M{sub S}) decreased from 1371 to 1105 kA/m with increasing Ga concentration from 10.5 to 24.3 % at room temperature. The lattice parameter increased with the increase in Ga content because of the larger atomic radius of Ga atom than that of Fe. The increase in carrier density with Ga content caused in lower resistivity.

The electrochemical properties of LiFePO4 cathodes with different carbon contents were studied to find out the role of carbon as conductive additive. LiFePO4 cathodes containing from 0 percent to 12 percent of conductive additive (carbon black or mixture of carbon black and graphite) were cycled at different C rates. The capacity of LiFePO4 cathode increased, as conductive additive content increased. Carbon increased the utilization of active material and the electrical conductivity of electrode, but decreased volumetric capacity of electrode.

The structural behavior of amorphous W[sub 46]Fe[sub 13]C[sub 41] and W[sub 36]Fe[sub 31]C[sub 33] films produced by sputtering have been studied in situ during annealing up to [approximately] 950 C by means of hot stage transmission electron microscopy. Differential thermal analysis and X-ray diffraction were used as complementary experimental techniques. The results are presented and correlated with the equilibrium phases anticipated from the W-Fe-C ternary phase diagram and with previous studied on similar films deposited and annealed onto substrates.

The electronic structure of the phospho-olivine LixFePO4 wasstudied using soft-x-ray-absorption (XAS) and emission spectroscopies.Characteristic changes in the valence and conduction bands are observedupon delithation of LiFePO4 into FePO4. In LiFePO4, the Fe-3d states arelocalized with little overlap with the O-2p states. Delithiation ofLiFePO4 gives stronger hybridization between Fe-3d states and O-2p statesleading to delocalization of the O-2p states. The Fe L-edge absorptionspectra yield "fingerprints" of the different valence states of Fe inLiFePO4 and FePO4. Resonant soft-x-ray-emission spectroscopy at the Fe Ledge shows strong contributions from resonant inelastic soft x-rayscattering (RIXS), which is described using an ionic picture of the Fe-3dstates. Together the Fe L-edge XAS and RIXS study reveals a bondingcharacter of the Fe 3d-O2p orbitals in FePO4 in contrast to a nonbondingcharacter in LiFePO4.

Context. Cool star model atmospheres are a common tool for the investigation of stellar masses, ages and elemental abundance composition. Theoretical atmospheric models strongly depend on the atomic data used when calculating them. Aims. We present the changes in flux and temperature stratification when changing from iron data computed by R.L. Kurucz in the mid 90s to the Kurucz 2009 iron computations. Methods. MAFAGS-OS opacity sampling atmospheres were recomputed with Kurucz 2009 iron atomic data as implemented in the VALD database by Ryabchikova. Temperature stratification and emergent flux distribution of the new version, called MAFAGS-OS9, is compared to the former version and to solar flux measurements. Results. Using the Kurucz line lists converted into the VALD format and new bound-free opacities for Mg i and Al i leads to changes in the solar temperature stratification by not more than 28 K. At the same time, the calculated solar flux distribution shows significantly better agreement between observat...

Homoepitaxial thin films of Fe:TiO2 and (Fe,N):TiO2 were deposited on rutile(110) by molecular beam epitaxy. X-ray absorption near edge spectroscopy (XANES) spectra were collected at the Ti L-edge, Fe L-edge, O K-edge, N K-edge, and Ti K-edge. No evidence of structural disorder associated with a high concentration of oxygen vacancies is observed. Substitution of Fe for Ti could not be confirmed, although secondary phase Fe2O3 and metallic Fe can be ruled out. The similarity of the N K-edge spectra to O, and the presence of a strong x-ray linear dichroism (XLD) signal for the N K-edge, indicates that N is substitutional for O in the rutile lattice, and is not present as a secondary phase such as TiN. Simulations of the XANES spectra qualitatively confirm substitution, although N appears to be present in more than one local environment. Neither Fe:TiO2 nor (Fe,N):TiO2 exhibit intrinsic room temperature ferromagnetism, despite the presence of mixed valence Fe(II)/Fe(III) in the reduced (Fe,N):TiO2 film.

CoO/Fe/Ag(001) films were grown epitaxially and studied by X-ray Magnetic Circular Dichroism (XMCD) and X-ray Magnetic Linear Dichroism (XMLD). After field cooling along the Fe[100] axis to 80 K, exchange bias, uniaxial anisotropy, and 4-fold anisotropy of the films were determined by hysteresis loop and XMCD measurements by rotating the Fe magnetization within the film plane. The CoO frozen spins were determined by XMLD measurement as a function of CoO thickness.We find that among the exchange bias, uniaxial anisotropy, and 4-fold anisotropy, only the uniaxial magnetic anisotropy follows thickness dependence of the CoO frozen spins.

It has been proposed that the stress corrosion cracking (SCC) of nickel-based alloys in low-temperature hydrogenated water is due to hydrogen embrittlement. The purpose of this work was to investigate the role of chromium on hydrogen embrittlement of Ni-Cr-Fe alloys and thus develop a better understanding of the low-temperature SCC phenomenon. The effect of chromium on the hydrogen embrittlement was examined using tensile tests followed by material evaluation via scanning electron microscopy and light optical microscopy. Four alloys were prepared with chromium contents ranging from 6 wt. percent to 35 wt. percent. In the noncharged condition, ductility, as measured by the percent elongation or reduction in area, increased as the alloy chromium content increased. Hydrogen appeared to have only minor effects on the mechanical properties of the low chromium alloys. The addition of hydrogen had a marked effect on the ductility of the higher chromium alloys. In the 26% chromium alloy, the elongation to failure was reduced from 53% to 14% with a change in fracture mode from ductile dimple to intergranular failure. A maximum in embrittlement was observed in the 26% Cr alloy. The maximum in embrittlement coincided with the minimum in stacking-fault energy. It is proposed that the increased hydrogen embrittlement in the high-chromium alloys is due to increased slip planarity caused by the low stacking-fault energy. Slip planarity did not appear to affect the fracture of the noncharged specimens.

The existence of a new class of magnetic materials displaying metallic character for one electron spin population and insulating character for the other was first populated by DeGroot et al. in 1983 based on theoretical band structure calculations of the ferromagnetic Heusler alloy NiMnSb. Since then such half metallic materials, which by definition possess 100% electron polarization at the Fermi energy, have attracted considerable theoretical, experimental, and technological interest as potential pure spin sources for use in spintronic devices. In addition to Heusler alloys (e.g. NiMnSb, PtMnSb), half metallic character has also been predicted to occur in a wide range of manganites (e.g. La1-xCaxMnO3, La1-x-SrxMnO3), metallic oxides (e.g. Fe3O4, CrO2) and CMR systems. However, such predictions have proven to be extremely difficult to confirm experimentally. Possible reasons for this include the theoretical limitations arising from the complex crystallographic structure of many such materials and limitations in applying the single electron picture to materials where strong electron correlation may be present; this is compounded by experimental difficulties posed by their structural complexity and issues such as surface contamination, segregation, and reconstruction.

The resistivity of the as-fabricated thermistor material, nickel-iron-manganite, changes during initial aging in the temperature range of 150-300{degrees}C before becoming stable. X-ray photoelectron spectroscopy (XPS) was used to determine if any valency change or chemical shift of the cations or oxygen occurred after aging. The goal of the study was to identify any ionic changes that might affect thermistor stability. The only observed changes in 2p{sub 3/2} peaks due to aging were those related to Ni ions; the same peaks for Mn, Fe, and O remained unchanged. The changes in the Ni 2p{sub 3/2} peak may be related to: (a) the migration of Ni{sup 2+} ions from octahedral to tetrahedral sites, (b) subtle changes in the energy states of Ni{sup 2+} which promoted a more stable ionic structure, and/or (c) the presence of Ni{sup 3+} ions, some of which revert back to Ni{sup 2+}.

The Hyades open cluster presents a unique laboratory for planet formation and stellar pollution studies because all of the stars have essentially the same age and were born from the same cloud of gas. Furthermore, with an age of roughly 650 Myr most of the intermediate and low mass stars are on the main sequence. Given these assumptions, the accretion of metal rich material onto the surface of a star during and shortly after the formation of planetary systems should be evident via the enhanced metallicity of the star. Building on previous work, stellar evolution models which include the effects of stellar pollution are applied to the Hyades. The results of several Monte Carlo simulations, in which the amount of accreted material is drawn at random from a Gaussian distribution with standard deviation equal to half the mean, are presented. An effective temperature-[Fe/H] relation is produced and compared to recent observations. The theoretical predictions presented in this letter will be useful in future searches for evidence of stellar pollution due to planet formation. It is concluded that stellar pollution effects at the mean level of >=2 Earth masses of iron are ruled out by current observational data.

FE Teams Earn Secretary of Energy Achievement Awards FE Teams Earn Secretary of Energy Achievement Awards FE Teams Earn Secretary of Energy Achievement Awards October 4, 2012 - 1:00pm Addthis Washington, DC - Secretary of Energy Steven Chu today honored two Office of Fossil Energy (FE) groups - the National Energy Technology Laboratory's (NETL) Coronary Stents Team and the Strategic Petroleum Reserve's (SPR) 2011 Drawdown Team - with Secretary of Energy Achievement Awards for exceptional performance in carrying out the Department's mission. Small coronary stents made with a unique platinum-chromium alloy developed by NETL and Boston Scientific can open blocked arteries and save lives.The NETL team was honored for work in formulating a unique platinum-chromium alloy used for new generation coronary stents, which are used to

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A theoretical investigation of the effects of elastic coherency strain on the thermodynamics, kinetics, and morphology of intercalation in single LiFePO4 nanoparticles yields new insights into this important battery material. ...

Efforts to understand and improve the fracture toughness of Nd{sub 2}Fe{sub 14}B permanent magnets require an understanding of the fracture process itself. Cleavage plane orientations in Nd{sub 2}Fe{sub 14}B were identified by X-ray diffraction and found to be rather random. Cleavage fracture surfaces often exhibited smooth curvatures with no evidence for cleavage steps. The small grain sizes of less than 100 nm in Magnequench MQ material preclude an easy assessment of the fracture mode by scanning electron microscopy. Auger electron spectroscopy showed that much of the surface is covered with a 1 nm thick layer of a neodymium-rich phase presumably the 70Nd-30Fe eutectic phase suggesting that the hard Nd{sub 2}Fe{sub 14}B grains do not cleave but instead failure is at or in the grain boundary phase.

Graphene-modified LiFePO{sub 4} composite has been developed as a Li-ion battery cathode material with excellent high-rate capability and cycling stability. The composite was prepared with LiFePO{sub 4} nanoparticles and graphene oxide nanosheets by spray-drying and annealing processes. The LiFePO{sub 4} primary nanoparticles embedded in micro-sized spherical secondary particles were wrapped homogeneously and loosely with a graphene 3D network. Such a special nanostructure facilitated electron migration throughout the secondary particles, while the presence of abundant voids between the LiFePO{sub 4} nanoparticles and graphene sheets was beneficial for Li{sup +} diffusion. The composite cathode material could deliver a capacity of 70 mAh g{sup -1} at 60C discharge rate and showed a capacity decay rate of <15% when cycled under 10C charging and 20C discharging for 1000 times.

We have synthesized highly oriented samples of the superconducting compound FeSe0.5Te0.5 and investigated its mechanical properties. These samples were characterized by scanning electron microscopy(SEM) with energy-dispersive analysis

Conductive polypyrrole (PPy)-manganese ferrite (MnFe2O4) nanocomposites with core-shell structure were synthesized by in situ polymerization in the presence of dodecyl benzene sulfonic acid (DBSA) as the surfactant and dopant and ...

Molecular dynamics simulation of displacement cascades in FeÂ­Cr alloys L. Malerba a,*, D. Terentyev by displacement cascades in the relevant material. Molecular dynamics (MD) is well known to be the simulation tool

The structural disorder and lattice stability of complex perovskite (Ba,Sr)(Co,Fe)O3, a promising cathode material for solid oxide fuel cells and oxygen permeation membranes, is explored by means of first principles DFT calculations. It is predicted that Ba and Sr ions easily exchange their lattice positions (A-cation disorder) similarly to Co and Fe ions (B-cation disorder). The cation antisite defects (exchange of A- and B-type cations) have a relatively high formation energy. The BSCF is predicted to exist in an equilibrium mixture of several phases and can decompose exothermically into the Ba- and Co-rich hexagonal (Ba,Sr)CoO3 and Sr- and Fe-rich cubic (Ba,Sr)FeO3 perovskites.

Equimolar FeCoCrNi alloys have been the topic of recent research as 'high-entropy alloys,' where the name is derived from the high configurational entropy of mixing for a random solid solution. Despite their name, no systematic study of ordering in this alloy system has been performed to date. Here, we present results from anomalous x-ray scattering and neutron scattering on quenched and annealed samples. An alloy of FeNi{sub 3} was prepared in the same manner to act as a control. Evidence of long-range chemical ordering is clearly observed in the annealed FeNi{sub 3} sample from both experimental techniques. The FeCoCrNi sample given the same heat treatment lacks long-range chemical order.

We use high-pressure magnetic x-ray diffraction and numerical simulation to determine the low-temperature magnetic phase diagram of stoichiometric CeFe2. Near 1.5 GPa we find a transition from ferromagnetism to antiferromagnetism, accompanied by a rhombohedral distortion of the cubic Laves crystal lattice. By comparing pressure and chemical substitution we find that the phase transition is controlled by a shift of magnetic frustration from the Ce-Ce to the Fe-Fe sublattice. Notably the dominant Ce-Fe magnetic interaction, which sets the temperature scale for the onset of long-range order, remains satisfied throughout the phase diagram but does not determine the magnetic ground state. Our results illustrate the complexity of a system with multiple competing magnetic energy scales and lead to a general model for magnetism in cubic Laves phase intermetallic compounds.

FE-Docket No. 99-1: Petition to intervene of Calpine Power Services FE-Docket No. 99-1: Petition to intervene of Calpine Power Services Company FE-Docket No. 99-1: Petition to intervene of Calpine Power Services Company Proposed open access requirement for international electric transmission facilities and delegation to the federal energy regulatory commission. Enclosed for filing are an original and fifteen copies of the petition to intervene of power service company in the above-captioned proceeding. FE-Docket No. 99-1: Petition to intervene of Calpine Power Services Company More Documents & Publications Application for Presidential Permit OE Docket No. PP-371 Northern Pass: Comments from Campton Conservation Commission Application for presidential permit OE Docket No. PP-230-4 International Transmission Company: Petition to Intervene Out of Time and Comments of

OFFICE OF FOSSIL ENERGY (FE) PROGRAMS ARE FOCUSED ON OFFICE OF FOSSIL ENERGY (FE) PROGRAMS ARE FOCUSED ON ACTIVITIES RELATED TO THE RELIABLE, EFFICIENT, AFFORDABLE AND ENVIRONMENTALLY SOUND USE OF FOSSIL FUELS, AND ENHANC- ING U.S. ECONOMIC, ENVIRONMENTAL AND ENERGY SECURITY. FE MANAGES DOE'S FOSSIL ENERGY RESEARCH AND DEVELOPMENT (FER&D) PROGRAM, WHICH INCLUDES THE CLEAN COAL POWER INITIATIVE (CCPI); CARBON CAPTURE AND STORAGE (CCS) AND POWER SYSTEMS PROGRAM; ADVANCED ENERGY SYSTEMS; THE CROSSCUTTING RESEARCH ACTIVITY; AND NATURAL GAS TECHNOLOGIES R&D PROGRAM. IN ADDITION, FE OPERATES THE STRATEGIC PETROLEUM RESERVE (SPR), THE NORTHEAST HOME HEATING OIL RESERVE, NAVAL PETROLEUM AND OIL SHALE RESERVES (NPOSR) AND ELK HILLS SCHOOL LANDS FUND. EACH OF THESE ACTIVITIES IS IN A SEPARATE APPROPRIATIONS ACCOUNT. A DESCRIPTION OF MAJOR

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Using a novel electrochemical phase-field model, we question the common belief that LixFePO4 nanoparticles separate into Li-rich and Li-poor phases during battery discharge. For small currents, spinodal decomposition or nucleation leads to moving phase boundaries. Above a critical current density (in the Tafel regime), the spinodal disappears, and particles fill homogeneously, which may explain the superior rate capability and long cycle life of nano-LiFePO4 cathodes.

We report the single crystal growth of Ca(Fe1-xCox)2As2 (0 <= x <= 0.082) from Sn flux. The temperature-composition phase diagram is mapped out based on the magnetic susceptibility and electrical transport measurements. Phase diagram of Ca(Fe1-xCox)2As2 is qualitatively different from those of Sr and Ba, it could be due to both the charge doping and structural tuning effects associated with Co substitution.

A process of producing a NiCrFe alloy having a high resistance to stress corrosion cracking comprising heating a NiCrFe alloy to a temperature sufficient to enable the carbon present in the alloy body in the form of carbide deposits to enter into solution, rapidly cool the alloy body, and heat the cooled body to a temperature between 1100.degree. to 1500.degree. F. for about 1 to 30 hours.

Preservation of Fe(II) by Carbon-Rich Matrices in Hydrothermal Plumes Print Preservation of Fe(II) by Carbon-Rich Matrices in Hydrothermal Plumes Print Despite the considerable amount of iron that enters the oceans from the continents and from hydrothermal vents at mid-ocean ridges on the seafloor, there are large regions of the global ocean where iron availability is so low that it limits life. Oceanographers have long explained this anomaly by assuming that the iron in the sea is primarily incorporated as Fe(III) into inorganic minerals that lack both the mobility to circulate over long distance and bioavailability to sea life as an essential nutrient. Now, a collaboration led by researchers from the Woods Hole Oceanographic Institution has reported that the hydrothermal plumes emerging from the vents actually contain iron in both Fe(II) and Fe(III) oxidation states associated with organic material from nearby flora and fauna. The collaboration suggests that the organic matrices prevent oxidation and precipitation of the Fe(II), perhaps increasing both its circulation through the world's oceans and its bioavailability as a deep-sea nutrient.

Our new research project (started Fall 2004) was funded by a grant to The Pennsylvania State University, University of Central Florida, and The University of Alabama in the Integrative Studies Element of the NABIR Program (DE-FG04-ER63914/63915/63196). Our previous NABIR project (DE-FG02-01ER63180/63181/63182, funded within the Biotransformation Element) focused on (1) microbial reduction of Fe(III) and U(VI) individually, and concomitantly in natural sediments, (2) Fe(III) oxide surface chemistry, specifically with respect to reactions with Fe(II) and U(VI), (3) the influence of humic substances on Fe(III) and U(VI) bioreduction, and on U(VI) complexation, and (4) the development of reaction-based reactive transport biogeochemical models to numerically simulate our experimental results. The new project focuses on the development of a mechanistic understanding and quantitative models of coupled Fe(III)/U(VI) reduction in FRC Area 2 sediments. This work builds on our previous studies of microbial Fe(III) and U(VI) reduction, and is directly aligned with the Scheibe et al. NABIR FRC Field Project at Area 2.

Phonon density of states (DOS) curves were measured on alloys of face-centered-cubic (fcc) Au-Fe using nuclear resonant inelastic x-ray scattering (NRIXS) and inelastic neutron scattering (INS). The NRIXS and INS results were combined to obtain the total phonon DOS and the partial phonon DOS curves of Au and Fe atoms. The 57Fe partial phonon DOS of the dilute alloy Au0.97 57Fe0.03 shows a localized mode centered 4.3% above the cutoff energy of the phonons in pure Au. The Mannheim model for impurity modes accurately reproduced this partial phonon DOS using the fcc Au phonon DOS with a ratio of host-host to impurity-host force constants of 1.55. First-principles calculations validated the assumption of first-nearest-neighbor forces in the Mannheim model and gave a similar ratio of force constants. The high energy local mode broadens with increasing Fe composition, but this has a small effect on the composition dependence of the vibrational entropy. The main effect on the vibrational entropy of alloying comes from a stiffening of the Au partial phonon DOS with Fe concentration. This stiffening is attributed to two main effects: 1) an increase in electron density in the free-electron-like states, and 2) stronger sd-hybridization. These two effects are comparable in magnitude.

Co-precipitation is the major method proposed for synthesis of molybdenum oxide supported Fe, Fe/Co, and Fe/Cu catalysts. However, many variables may effect the particle size and surface properties of the synthesized catalysts, such as pH of molybdate solution, precipitation temperature and pH, Fe/Mo atomic ratio, pH of the washing solution, aging of the freshly prepared samples, and the length and temperature of calcination. In this period, we have been working on precipitation between iron(III) nitrate solution and ammonium para-molybdate solution under controlled pH condition, and with different Me/Fe atomic ratio. The effect of aging time on the property of the samples was also studied. The samples with the ratio of Fe/MoO{sub 3}: 6.5%, 20%, 26%, and 30% were prepared using above mentioned method. The samples with 6.5% and 26% were characterized with thermal analysis, infrared spectroscopy, magnetization, Moessbauer and X-ray diffraction before and after calcination at 400 C. FTIR was examined on precipitate, calacined and reduced samples as well as CO adsorbed and desorbed samples. Magnetization Studies were made on precipitated, calacined, and reduced samples. Their synthesis and characterization are presented in this report.

A redox flow battery using Fe2+/Fe3+ and V2+/V3+ redox couples in chloric/sulphuric mixed acid supporting electrolyte was investigated for potential stationary energy storage applications. The Fe/V redox flow cell using mixed reactant solutions operated within a voltage window of 0.5-1.35 V with a nearly 100% utilization ratio and demonstrated stable cycling over 100 cycles with energy efficiency > 80% and no capacity fading at room temperature. A 25% improvement in the discharge energy density of the Fe/V cell was achieved compared with the previous reported Fe/V cell using pure chloride acid supporting electrolyte. Stable performance was also achieved in the temperature range between 0 C and 50 C as well as using microporous separator as the membrane. The improved electrochemical performance at room temperature makes the Fe/V redox flow battery a promising option as a stationary energy storage device to enable renewable integration and stabilization of the electrical grid.

The microbial reduction of Fe(III) and U(VI) were investigated in shallow aquifer sediments collected from subsurface Pleistocene flood deposits near the Hanford Reach of the Columbia River in Washington State. Increases in 0.5 N HCl-extractable Fe(II) were observed in incubated sediments and 57Fe Mössbauer spectroscopy revealed that Fe(III) associated with phyllosilicates and pyroxene was reduced to Fe(II). Aqueous uranium(VI) concentrations decreased in incubated Hanford sediments with the rate and extent being greater in sediment amended with organic carbon. X-ray absorption spectroscopy of bioreduced sediments indicated that 67-77% of the U signal was U(VI), probably as an adsorbed species associated with a new or modified reactive mineral phase. Phylotypes within the Deltaproteobacteria were more common in Hanford sediments incubated with U(VI) than without and in U(VI)-free incubations, members of the Clostridiales were dominant with sulfate-reducing phylotypes more common in the sulfate-amended sediments. These results demonstrate the potential for anaerobic reduction phyllosilicate Fe(III) and sulfate in Hanford unconfined aquifer sediments and biotransformations involving reduction and adsorption leading to decreased aqueous U concentrations.

Addition of dispersants to aqueous based lithium-ion battery electrode formulations containing LiFePO{sub 4} is critical to obtaining a stable suspension. The resulting colloidal suspensions enable dramatically improved coating deposition when processing electrodes. This research examines the colloidal chemistry modifications based on polyethyleneimine (PEI) addition and dispersion characterization required to produce high quality electrode formulations and coatings for LiFePO{sub 4} active cathode material. The isoelectric point, a key parameter in characterizing colloidal dispersion stability, of LiFePO{sub 4} and super P C45 were determined to be pH = 4.3 and 3.4, respectively. PEI, a cationic surfactant, was found to be an effective dispersant. It is demonstrated that 1.0 wt % and 0.5 wt % PEI were required to stabilize the LiFePO{sub 4} and super P C45 suspension, respectively. LiFePO{sub 4} cathode suspensions with 1.5 wt % PEI demonstrated the best dispersibility of all components, as evidenced by viscosity and agglomerate size of the suspensions and elemental distribution within dry cathodes. The addition of PEI significantly improved the LiFePO{sub 4} performance.

Preservation of Fe(II) by Carbon-Rich Matrices in Hydrothermal Plumes Print Preservation of Fe(II) by Carbon-Rich Matrices in Hydrothermal Plumes Print Despite the considerable amount of iron that enters the oceans from the continents and from hydrothermal vents at mid-ocean ridges on the seafloor, there are large regions of the global ocean where iron availability is so low that it limits life. Oceanographers have long explained this anomaly by assuming that the iron in the sea is primarily incorporated as Fe(III) into inorganic minerals that lack both the mobility to circulate over long distance and bioavailability to sea life as an essential nutrient. Now, a collaboration led by researchers from the Woods Hole Oceanographic Institution has reported that the hydrothermal plumes emerging from the vents actually contain iron in both Fe(II) and Fe(III) oxidation states associated with organic material from nearby flora and fauna. The collaboration suggests that the organic matrices prevent oxidation and precipitation of the Fe(II), perhaps increasing both its circulation through the world's oceans and its bioavailability as a deep-sea nutrient.

This dissertation examines the applicability of the iron-based degradative solidification/stabilization (DS/S-Fe(II)) to various chlorinated aliphatic hydrocarbons (CAHs) that are common chemicals of concern at contaminated sites. The research focuses on the transformation of 1,1,1-trichloroethane (1,1,1-TCA), 1,1,2,2-tetrachloro-ethane (1,1,2,2-TetCA) and 1,2-dichloroehtane (1,2-DCA) by Fe(II) in cement slurries. It also investigates the degradation of 1,1,1-TCA by a mixture of Fe(II), cement and three iron-bearing phyllosilicates. Transformation of 1,1,1-TCA and 1,1,2,2-TetCA by Fe(II) in 10% cement slurries was characterized using batch reactors. Dechlorination kinetics of 1,1,1-TCA and TCE* (TCE that was produced by transformation of 1,1,2,2-TetCA) was strongly dependent on Fe(II) dose, pH and initial target organic concentration. Degradation of target organics in DS/S-Fe(II) process was generally described by a pseudo-first-order rate law. However, saturation relationships between the rate constants and Fe(II) dose or between the initial degradation rates and target organic concentration were observed. These behaviors were properly described by a modified Langmuir-Hinshelwood kinetic model. This supports the working hypothesis of this research that reductive dechlorination of chlorinated ethanes occurs on the surface of active solids formed in mixtures of Fe(II) and cement. Transformation products for 1,1,1-TCA and 1,1,2,2-TetCA in mixtures of Fe(II) and cement were identified. The major product of the degradation of 1,1,1-TCA was 1,1-DCA, which indicates that the reaction followed a hydrogenolysis pathway. However, a small amount of ethane was also observed. TCE* was rapidly produced by degradation of 1,1,2,2-TetCA and is expected to undergo Ã?Â²-elimination to produce acetylene. Dechlorination of 1,1,1-TCA in suspension of Fe(II), cement and three soil minerals (biotite, vermiculite, montmorillonite) was characterized using batch reactors. A first-order rate model was generally used to describe the dechlorination kinetics of 1,1,1-TCA in this heterogeneous system. The rate constants for 1,1,1-TCA in mixtures of Fe(II), cement and soil minerals were influenced by soil mineral types, Fe(II) dose and the mass ratio of cement to soil mineral. It was demonstrated that structural Fe(II) and surface-bound Fe(II) in the soil minerals affect dechlorination kinetics and the effects vary with mineral types. Furthermore, it suggests that the reductant formed from Fe(II) and cement hydration components is also effective in systems that include soil minerals.

This report summarized the research efforts and major conclusions for our SECA Phase I and II project focused on Cr-free or low Cr Fe-Ni based alloy development for intermediate temperature solid oxide fuel cell (SOFC) interconnect application. Electrical conductivity measurement on bulk (Fe,Ni){sub 3}O{sub 4} coupons indicated that this spinel phase possessed a higher electrical conductivity than Cr{sub 1.5}Mn{sub 1.5}O{sub 4} spinel and Cr{sub 2}O{sub 3}, which was consistent with the low area specific resistance (ASR) of the oxide scale formed on these Fe-Ni based alloys. For Cr-free Fe-Ni binary alloys, although the increase in Ni content in the alloys improved the oxidation resistance, and the Fe-Ni binary alloys exhibited adequate CTE and oxide scale ASR, their oxidation resistance needs to be further improved. Systematic alloy design efforts have led to the identification of one low-Cr (6wt.%) Fe-Ni-Co based alloy which formed a protective, electrically-conductive Cr{sub 2}O{sub 3} inner layer underneath a Cr-free, highly conductive spinel outer layer. This low-Cr, Fe-Ni-Co alloy has demonstrated a good CTE match with other cell components; high oxidation resistance comparable to that of Crofer; low oxide scale ASR with the formation of electrically-insulating phases in the oxide scale; no scale spallation during thermal cycling; adequate compatibility with cathode materials; and comparable mechanical properties with Crofer. The existence of the Cr-free (Fe,Co,Ni){sub 3}O{sub 4} outer layer effectively reduced the Cr evaporation and in transpiration testing resulted in a 6-fold decrease in Cr evaporation as compared to a state-of-the-art ferritic interconnect alloy. In-cell testing using an anode supported cell with a configuration of Alloy/Pt/LSM/YSZ/Ni+YSZ indicates that the formation of the Cr-free spinel layer via thermal oxidation was effective in blocking the Cr migration and thus improving the cell performance stability. Electroplating of the Fe-Ni-Co alloys as precursor to synthesize a protective spinel layer on commercial ferritic steels has been initiated to facilitate the utilization of the Cr-free spinel as a surface seal to block Cr evaporation. It is suggested that low-cost Fe-Ni-Co alloy coating on commercial ferritic steels might be the best approach to completely eliminate the Cr poisoning problem in SOFC stacks, while maintaining the relatively low overall cost of the interconnect component.

baf3fe-77ac-4e88-81fe-07693c8def83 baf3fe-77ac-4e88-81fe-07693c8def83 No revision has been approved for this page. It is currently under review by our subject matter experts. Jump to: navigation, search Loading... 1. Basic Information 2. Demand 3. Energy << Previous 1 2 3 Next >> Basic Information Utility name: Indiana Michigan Power Co (Michigan) Effective date: 2013/04/01 End date if known: Rate name: COGEN/SPP - Cogeneration and/or Small Power Production Service Sector: Description: Monthly Charges for Delivery from the Company to the Customer (1) Supplemental Service Available to the customer to supplement its COGEN/SPP source of power supply which will enable either or both sources of supply to be utilized for all or any part of the customer's total requirements. Charges for energy, and demand where applicable, to serve the customer's net or total load shall be determined according to the rate schedule appropriate for the customer. Option 1 and Option 2 customers with COGEN/SPP facilities having a total design capacity of more than 10 kW shall be served under demand-metered rate schedules.

Sample records for fe ru os from the National Library of Energy Beta (NLEBeta)

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c47bc-b7fe-42e1-b7e2-7660fe4dd49b c47bc-b7fe-42e1-b7e2-7660fe4dd49b No revision has been approved for this page. It is currently under review by our subject matter experts. Jump to: navigation, search Loading... 1. Basic Information 2. Demand 3. Energy << Previous 1 2 3 Next >> Basic Information Utility name: City of Marshfield, Wisconsin (Utility Company) Effective date: 2012/02/01 End date if known: Rate name: Cp-1 Small Power Service between 50kW and 200kW Demand Primary Metering Discount Sector: Industrial Description: Power Cost Adjustment Clause - All metered rates shall be subject to a positive or negative power cost adjustment charge equivalent to the amount by which the current cost of power (per kilowatt-hour of sales) is greater or lesser than the base cost of power purchased (per kilowatt-hour of sales). The base cost of power (U) is $0.0515 per kilowatt-hour.

db466d-20e7-4d4c-8fe8-57fe6694f5fd db466d-20e7-4d4c-8fe8-57fe6694f5fd No revision has been approved for this page. It is currently under review by our subject matter experts. Jump to: navigation, search Loading... 1. Basic Information 2. Demand 3. Energy << Previous 1 2 3 Next >> Basic Information Utility name: Kenergy Corp Effective date: 2011/09/01 End date if known: Rate name: Fuel Adjustment Rider Sector: Description: APPLICABLE In all territory served. FUEL ADJUSTMENT RATE SECTION 1 BILLINGS TO CUSTOMERS SERVED FROM NON-DEDICATED DELIVERY POINTS Billings computed pursuant to rate schedules to which this section is applicable shall be adjusted based on the following formula where all references to costs and revenues will exclude amounts associated with customers served from Dedicated Delivery Points. The fuel adjustment rate applicable to KWH sold in the current month under each rate to which this section applies shall be based upon the fallowing formula: F= ((WFAC-O+U)/(P(m) x L)) - F(b)

dafc-8277-4c64-b21b-887fe880a1fe dafc-8277-4c64-b21b-887fe880a1fe No revision has been approved for this page. It is currently under review by our subject matter experts. Jump to: navigation, search Loading... 1. Basic Information 2. Demand 3. Energy << Previous 1 2 3 Next >> Basic Information Utility name: City of Elkhorn, Wisconsin (Utility Company) Effective date: 2012/07/01 End date if known: Rate name: Cp-1TOD; Small Power Optional Time-of-Day Service-Transformer Ownership Discount and Primary Metering Discount-20kW or less-Net Energy Billing) Sector: Commercial Description: This rate schedule is optional to all Cp-1 customers. Customers that wish to be served on this rate schedule must apply to the utility for service. Once an optional customer begins service on this rate schedule, the customer shall remain on the rate for a minimum of one year. Any customer choosing to be served on this rate schedule waives all rights to billing adjustments arising from a claim that the bill for service would be less on another rate schedule than under this rate schedule.

We report structurally tuned superconductivity in a K{sub x}Fe{sub 2-y}Se{sub 2-z}S{sub z} (0 {le} z {le} 2) phase diagram. Superconducting T{sub c} is suppressed as S is incorporated into the lattice, eventually vanishing at 80% of S. The magnetic and conductivity properties can be related to stoichiometry on a poorly occupied Fe1 site and the local environment of a nearly fully occupied Fe2 site. The decreasing T{sub c} coincides with the increasing Fe1 occupancy and the overall increase in Fe stoichiometry from z = 0 to z = 2. Our results indicate that the irregularity of the Fe2-Se/S tetrahedron is an important controlling parameter that can be used to tune the ground state in the new superconductor family.

We report structurally tuned superconductivity in a K{sub x}Fe{sub 2-y}Se{sub 2-z}S{sub z} (0 {le} z {le} 2) phase diagram. Superconducting T{sub c} is suppressed as S is incorporated into the lattice, eventually vanishing at 80% of S. The magnetic and conductivity properties can be related to stoichiometry on a poorly occupied Fe1 site and the local environment of a nearly fully occupied Fe2 site. The decreasing T{sub c} coincides with the increasing Fe1 occupancy and the overall increase in Fe stoichiometry from z = 0 to z = 2. Our results indicate that the irregularity of the Fe2-Se/S tetrahedron is an important controlling parameter that can be used to tune the ground state in the new superconductor family.

The corrosion behavior of Alloy 600 (UNS N06600) is investigated in hydrogenated water at 260 C. The corrosion kinetics are observed to be parabolic, the parabolic rate constant being determined by chemical descaling to be 0.055 mg dm{sup -2} hr{sup -1/2}. A combination of scanning and transmission electron microscopy, supplemented by energy dispersive X-ray spectroscopy and grazing incidence X-ray diffraction, are used to identify the oxide phases present (i.e., spinel) and to characterize their morphology and thickness. Two oxide layers are identified: an outer, ferrite-rich layer and an inner, chromite-rich layer. X-ray photoelectron spectroscopy with argon ion milling and target factor analysis is applied to determine spinel stoichiometry; the inner layer is (Ni{sub 0.7}Fe{sub 0.3})(Fe{sub 0.3}Cr{sub 0.7}){sub 2}O{sub 4}, while the outer layer is (Ni{sub 0.9}Fe{sub 0.1})(Fe{sub 0.85}Cr{sub 0.15}){sub 2}O{sub 4}. The distribution of trivalent iron and chromium cations in the inner and outer oxide layers is essentially the same as that found previously in stainless steel corrosion oxides, thus confirming their invariant nature as solvi in the immiscible spinel binary Fe{sub 3}O{sub 4}-FeCr{sub 2}O{sub 4} (or NiFe{sub 2}O{sub 4}-NiCr{sub 2}O{sub 4}). Although oxidation occurred non-selectively, excess quantities of nickel(II) oxide were not found. Instead, the excess nickel was accounted for as recrystallized nickel metal in the inner layer, as additional nickel ferrite in the outer layer, formed by pickup of iron ions from the aqueous phase, and by selective release to the aqueous phase.

A p-type N-doped {alpha}-Fe{sub 2}O{sub 3} was developed by magnetron sputtering of a Fe{sub 2}O{sub 3} target in a plasma containing N{sub 2} and Ar followed by postannealing. Photoelectrochemical measurement under visible light irradiation (>410 nm) showed that N-Fe{sub 2}O{sub 3} exhibits a typical cathodic photocurrent originated from the p-type conduction. X-ray photoemission spectroscopy indicated that the atomic N incorporated substitutionally at O sites was responsible for the p-type conduction. The concentration of acceptors was very close to that for Zn-doped Fe{sub 2}O{sub 3}, a typical p-type {alpha}-Fe{sub 2}O{sub 3}. This finding would stimulate further research on p-type Fe{sub 2}O{sub 3} for solar fuel generation, etc.

Magnetic domain evolution at the spin reorientation transition (SRT) of (Fe/Ni)/Cu/Ni/Cu(001) is investigated using photoemission electron microscopy. While the (Fe/Ni) layer exhibits the SRT, the interlayer coupling of the perpendicularly magnetized Ni layer to the (Fe/Ni) layer serves as a virtual perpendicular magnetic field exerted on the (Fe/Ni) layer. We find that the perpendicular virtual magnetic field breaks the up-down symmetry of the (Fe/Ni) stripe domains to induce a net magnetization in the normal direction of the film. Moreover, as the virtual magnetic field increases to exceed a critical field, the stripe domain phase evolves into a bubble domain phase. Although the critical field depends on the Fe film thickness, we show that the area fraction of the minority domain exhibits a universal value that determines the stripe-to-bubble phase transition.

Density functional theory was employed to investigate grain boundary (GB) properties of W alloys. A range of substitutional solutes across the Periodic Table was investigated to understand the behavior of different electronic orbitals in changing the GB cleavage energy in the ?27a[110]{525} GB. A number of transition metals were predicted to enhance the GB cohesion. This includes Ru, Re, Os, Ir, V, Cr, Mn, Fe, Co, Ti, Hf, Ta and Nb. While lanthanides, s and p elements were tended to cause GB embrittlement.

The ?-proteobacterium Shewanella oneidensis MR-1 possesses a periplasmic [NiFe]-hydrogenase (MR-1 [NiFe]-H2ase) that was implicated in both H2 production and oxidation as well as technetium [Tc(VII)] reduction. To characterize the roles of MR-1 [NiFe]-H2ase in these proposed reactions, the genes encoding both subunits of MR-1 [NiFe]-H2ase were cloned into a protein expression vector. The resulting plasmid was transformed into a MR-1 mutant deficient in H2 formation. Expression of MR-1 [NiFe]-H2ase in trans restored the mutant’s ability to produce H2 at 37% of that for wild type. Following expression, MR-1 [NiFe]-H2ase was purified to near homogeneity. The purified MR-1 [NiFe]-H2ase could couple H2 oxidation to reduction of Tc(VII) and methyl viologen directly. Change of the buffers used affected MR-1 [NiFe]-H2ase-mediated Tc(VII) but not methyl viologen reductions. Under the conditions tested, Tc(VII) reduction was complete in Tris buffer but not in HEPES buffer. The reduced Tc(IV) was soluble in Tris buffer but insoluble in HEPES buffer. Transmission electron microscopy analysis revealed that Tc(IV) precipitates formed in HEPES buffer were packed with crystallites. Although X-ray absorption near-edge spectroscopy measurements confirmed that the reduction products found in both buffers were Tc(IV), extended X-ray adsorption fine-structure measurements revealed that these products were very different. While the product in Tris buffer could not be determined, the Tc(IV) product in HEPES buffer was very similar to Tc(IV)O2•nH2O. These results shows for the first time that MR-1 [NiFe]-H2ase is a bidirectional enzyme that catalyzes both H2 formation and oxidation as well as Tc(VII) reduction directly by coupling H2 oxidation.

We have measured the phase stability and thermoelastic equation of state of ultrahard rhenium diboride at pressures up to 30 GPa and temperatures up to 2500 K using a laser heated diamond anvil cell in conjunction with synchrotron X-ray diffraction. ReB{sub 2} is shown to be stable throughout this pressure and temperature region. The ratio of the c-axis to the a-axis provides a monitor of the annealing of plastic stresses during compression. We show that ReB{sub 2} has a small thermal anisotropy but a large mechanical anisotropy. Combining this new data set with previously existing results from a large volume press yields a thermoelastic equation of state with a Grueneisen parameter of 2.4 (0.08) and a q of 2.7. A comparison of ReB{sub 2} with other high electron density incompressible metals - Os, Re, and Pt - shows that ReB{sub 2} has the lowest thermal pressure and the highest bulk modulus.

Reaction pathways resulting in uranium bearing solids that are stable (i.e., having limited solubility) under both aerobic and anaerobic conditions will limit dissolved concentrations and migration of this toxin. Here we examine the sorption mechanism and propensity for release of uranium reacted with Fe (hydr)oxides under cyclic oxidizing and reducing conditions. Upon reaction of ferrihydrite with Fe(II) under conditions where aqueous Ca-UO{sub 2}-CO{sub 3} species predominate (3 mM Ca and 3.8 mM CO{sub 3}-total), dissolved uranium concentrations decrease from 0.16 mM to below detection limit (BDL) after 5 to 15 d, depending on the Fe(II) concentration. In systems undergoing 3 successive redox cycles (15 d of reduction followed by 5 d of oxidation) and a pulsed decrease to 0.15 mM CO{sub 3}-total, dissolved uranium concentrations varied depending on the Fe(II) concentration during the initial and subsequent reduction phases - U concentrations resulting during the oxic 'rebound' varied inversely with the Fe(II) concentration during the reduction cycle. Uranium removed from solution remains in the oxidized form and is found both adsorbed on and incorporated into the structure of newly formed goethite and magnetite. Our 15 results reveal that the fate of uranium is dependent on anaerobic/aerobic conditions, aqueous uranium speciation, and the fate of iron.

Synthesized goethite was successfully used with addition of Fe(II) to sequester Tc present in both deionized water and simulated off-gas scrubber waste solutions. Pertechnetate concentration in solution decreased immediately when the pH was raised above 7 by addition of sodium hydroxide. Removal of Tc(VII) from solution occurred most likely as a result of heterogeneous surface-catalyzed reduction to Tc(IV) and subsequent co-precipitation onto the goethite. The final Tc-bearing solid was identified as goethite-dominated Fe(III)-(oxy)hydroxide based on XRD analysis, confirming the widespread observation of its characteristic acicular habit by TEM/SEM images. Analysis of the solid precipitate by XAFS showed that the dominant oxidation state of Tc was Tc(IV) and was in octahedral coordination with Tc-O, Fe-O, and Tc-Fe bond distances that are consistent with direct substitution of Tc for Fe in the goethite structure. In some experiments the final Tc-goethite product was subsequently armored with additional layers of freshly precipitated goethite. Successful incorporation of Tc(IV) within the goethite mineral lattice and subsequent goethite armoring can limit re-oxidation of Tc(IV) and its subsequent release from Tc-goethite waste forms, even when the final product is placed in oxidizing environments that typify shallow waste burial facilities.

Although numerous studies of high-energy, ball-milled metal powders have been conducted, to date few studies have characterized the mechanical processing of identical elemental compositions of prealloyed powders and of powder blends. This study reports on the mechanical processing (attritor ball milling) in argon and nitrogen gas environments of (a) iron powder and prealloyed iron–2 wt.% aluminum powder, and (b) iron-aluminum, iron-aluminum nitride, and iron-iron nitride powder blends. When nitrogen was milled into iron particles either from nitride powder or by gas infusion, the nitrogen dissolved interstitially in bcc-Fe (principally at the grain boundaries) or was present as bct-Fe nanoparticles at the bcc-Fe nanograin boundaries. The resulting nitrogen distribution was independent of how the nitrogen was added. Milled blends of iron and aluminum powder and prealloyed iron-aluminum powder resulted in similar microstructures: micrometer size particles with similar nanograin size. The aluminum in the blended powder mixture developed an ultrafine distribution on the grain boundaries, but it did not become uniformly distributed within the bcc-Fe grains. In contrast, the aluminum in prealloyed Fe–Al powder remained in solid solution during the mechanical milling.

Ultrathin ferromagnetic Fe layers on Si(001) have recently been synthesized using the molecular beam epitaxy (MBE) technique, and their structural and magnetic properties, as well as their interface reactivity have been investigated. The study was undertaken as function of the amount of Fe deposited and of substrate temperature. The interface reactivity was characterized by Auger electron spectroscopy (AES). The surface structure was characterized by low-energy electron diffraction (LEED). The magnetism was investigated by magneto-optical Kerr effect (MOKE). A higher deposition temperature stabilizes a better surface ordering, but it also enhances Fe and Si interdiffusion and it therefore decreases the magnetism. Despite the rapid disappearance of the long range order with Fe deposition at room temperature, the material exhibits a significant uniaxial in-plane magnetic anisotropy. For the Fe deposition performed at high temperature (500 deg. C), a weak ferromagnetism is still observed, with saturation magnetization of about 10% of the value obtained previously. MOKE studies allowed inferring the main properties of the distinct formed layers.

A new graded-porosity FeAl alloy can be fabricated through Fe and Al elemental reactive synthesis. FeAl alloy with large connecting open pores and permeability were used as porous supports. The coating was obtained by spraying slurries consisting of mixtures of Fe powder and Al powder with 3 5 m diameter onto porous FeAl support and then sintered at 1100 C. The performances of the coating were compared in terms of thickness, pore diameter and permeability. With an increase in the coating thickness up to 200 m, the changes of maximum pore size decreased from 23.6 m to 5.9 m and the permeability decreased from 184.2 m3m 2kPa 1h 1 to 76.2 m3m 2kPa 1h 1, respectively, for a sintering temperature equal to 1100 C. The composite membranes have potential application for excellent filters in severe environments.

Live $^{60}$Fe has recently been reported in a deep-ocean ferromanganese crust. Analysis of the isotopic ratios in the sample suggests that the measured $^{60}$Fe abundance exceeds the levels generated by terrestrial and cosmogenic sources, and it has been proposed that the excess of $^{60}$Fe is a signature of a supernova that exploded near the earth several Myr ago. In this paper, we consider the possible background sources, and confirm that the measured $^{60}$Fe is significantly higher than all known backgrounds, in contrast with the reported abundance of live $^{53}$Mn. We discuss scenarios in which the data are consistent with a supernova event at a distance $D \\sim 30$ pc and an epoch $t_{\\rm SN} \\sim 5$ Myr ago. We propose tests that could confirm or refute the interpretation of the $^{60}$Fe discovery, including searches for $^{10}$Be, $^{129}$I and $^{146}$Sm. Such a nearby supernova event might have had some impact on the earth's biosphere, principally by enhancing the cosmic-ray flux. This might have damaged the earth's ozone layer, enhancing the penetration of solar ultraviolet radiation. In this connection, we comment on the Middle Miocene and Pliocene mini-extinction events. We also speculate on the possibility of a supernova-induced "cosmic-ray winter," if cosmic rays play a significant role in seeding cloud formation.

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Representatives from industry, the U.S. Advanced Battery Consortium (USABC), DOE, national laboratories, and other govt agencies met to develop recommendations and actions for accelerating the development of ceramic components critical to the successful introduction of the Li/FeS{sub 2} bipolar battery for electric vehicles. Most of the workshop is devoted to electrode materials, bipolar designs, separators, and bipolar plates. The bulk of this document is viewographs and is divided into: ceramics, USABC overview, SAFT`s Li/FeS{sub 2} USABC program, bipolar Li/FeS{sub 2} component development, design requirements for bipolar plates, separator design requirements, compatibility of ceramic insulators with lithium, characterization of MgO for use in separators, resistivity measurements of separators, sintered AlN separators for LiMS batteries, etc.

We compared the electroluminescence (EL) polarization of two Fe/MgO/light-emitting-diode (LED) structures grown at different substrate temperatures for MgO growth: room temperature and 400 deg. C. Two spin-LED wafers were prepared on molecular beam epitaxy grown LEDs by e-beam evaporation: one was LED/MgO (RT)/Fe (RT)/Au cap (RT), and the other was LED/MgO (400 deg. C)/Fe (150 deg. C)/Au cap (90 deg. C). Spin-polarized EL was clearly observed in the latter sample, while the EL polarization was hardly observed in the former sample. The reasons for the near absence of EL polarization in the former sample are considered to be the degradation of the tunneling junction resulting from the crystallinity and the As-rich surface of the LED.

We explore the relationship between the structural and magnetic properties of GaN/Fe core/shell nanowires grown epitaxially on Si substrates. The magnetic properties are consistent with the coexistence of two magnetic contributions: a ferromagnetic response from the single-crystalline Fe particles formed at the nanowire tips, and a superparamagnetic response originating from the granular Fe clusters grown on the nanowire sidewalls, giving them a corncob-like morphology. We show that our interpretation of the origin of the magnetic behavior can be confirmed by the viscous decay of magnetic remanence in the nanowires. Ferromagnetic remanence is observed both parallel and perpendicular to the nanowire axis, making such structures appealing as high-density nonvolatile spintronic components on Si.

LiFePO{sub 4}/gel/natural graphite (NG) cells have been prepared and cycled under a fixed protocol for cycle and calendar life determination. Cell compression of 10 psi was found to represent an optimal balance between cell impedance and the first cycle losses on the individual electrodes with the gel electrolyte. Cells with a Li anode showed capacities of 160 and 78 mAh/g-LiFePO{sub 4} for C/25 and 2C discharge rates, respectively. Rapid capacity and power fade were observed in the LiFePO{sub 4}/gel/NG cells during cycling and calendar life studies. Diagnostic evaluations point to the consumption of cycleable Li though a side reaction as the reason for performance fade with minimal degradation of the individual electrodes.

Using ab initio linear response techniques we calculate spin-wave spectra in K2Fe4+xSe5, and find them to be in excellent agreement with a recent experiment. The spectrum can be described reasonably well by a localized spin Hamiltonian restricted to first and second nearest neighbor couplings. We confirm that exchange coupling between nearest neighbor Fe magnetic moments is strongly anisotropic, and show directly that in the ideal system this anisotropy has an itinerant nature which can be imitated by introducing higher order terms in the effective localized spin Hamiltonian (biquadratic coupling). In the real system, structural relaxation provides an additional source of the exchange anisotropy of approximately the same magnitude. The dependence of spin-wave spectra on the filling of Fe vacancy sites is also discussed.

The kinetics of coherent Cu rich precipitation in Fe-Cu and Fe-Cu-Ni alloys during thermal ageing have been modeled by Atomic Kinetic Monte Carlo method (AKMC). The AKMC is parameterized by existing ab-inito data to treat vacancy mediated diffusion which is depend on local atomic environment. A nonlinear semi-empirical time adjusting method is proposed to rescaled the MC time. The combined AKMC and time adjusting method give good agreement with experiments and other simulations, including advancement factor and the Cu cluster mobility. Simulations of ternary alloys reveal Ni has a temporal delay effect on Cu precipitation. This effect is caused by the decreasing diffusion coefficient of Cu clusters. And the reduction effect of diffusion coefficient weakens with cluster size. The simulations can be used to explain the experimental phenomenon that higher cluster number density formed during coasening stage in Fe-Cu-Ni alloys than corresponding binary alloy, which is related to cluster mobility.

It has been investigated theoretically the corrosion phenomena of iron (Fe) in liquid lead (Pb) by molecular dynamics methods. The corrosion phenomena was regarded as a diffusion process in which the Fe atoms of bulk material spreading into a liquid Pb. The D diffusion coefficient of the corrosion was calculated. We reported the self-diffusion coefficient of Fe in liquid Pb is D{sub MD} (750 deg.) = 2.59x10{sup -9}m{sup 2}/s. This is in the range of (1.31-5.75)x10{sup -9} m{sup 2}/s from literature and also closed to D{sub Robertson}(750 deg. C) = 2.74x10{sup -9} m{sup 2}/s based on the Robertson curve.

This work reports on the investigation of structure-property relationships in thin CoFe films grown on MgO. Because of the very similar scattering factors of Fe and Co, it is not possible to distinguish the random A2 (W-type) structure from the ordered B2 (CsCl-type) structure with commonly used x-ray sources. Synchrotron radiation based anomalous x-ray diffraction overcomes this problem. It is shown that as grown thin films and 300 K post annealed films exhibit the A2 structure with a random distribution of Co and Fe. In contrast, films annealed at 400 K adopt the ordered B2 structure.

Highly active, durable and cost-effective electrocatalysts for water oxidation to evolve oxygen gas hold a key to a range of renewable energy solutions including water splitting and rechargeable metal-air batteries. Here, we report the synthesis of ultrathin nickel iron layered double hydroxide nanoplates on mildly oxidized multi-walled carbon nanotubes. Incorporation of Fe into the nickel hydroxide induced the formation of NiFe-layered double hydroxide. The nanoplates were covalently attached to a network of nanotubes, affording excellent electrical wiring to the nanoplates. The ultra-thin Ni-Fe layered double hydroxide nanoplates/carbon nanotube complex was found to exhibit unusually high electro-catalytic activity and stability for oxygen evolution and outperformed commercial precious metal Ir catalysts.

An ordered L10 structure has been formed in near-stoichiometric Fe-Au alloy nanoparticles. The L10 structure with a?=?0.367?nm and c?=?0.360?nm was observed in nanoclusters with diameters below 10?nm after slow cooling from 600?°C. The stable L10 structure formed from a parent fcc solid solution phase observed in the as-formed clusters. The fcc phase has a lattice parameter of 0.417?nm, significantly expanded compared to both Au and ?-Fe. The saturation magnetization and coercivity of both fcc and L10 structures were much lower than expected considering Fe dilution effects suggesting competing ferromagnetic and anti-ferromagnetic ordering.

This study continues previous work on off stoichiometric Fe-Pd alloys using a combined reaction strategy during thermomechanical processing [1,2]. Severe plastic deformation of the initial disordered fcc gamma phase ( ), followed by heat treatment in the two phase field produces a nano-composite ferromagnet comprised of soft alpha-Fe/ferrite in a high-anisotropy L10 FePd matrix. The length scale and morphology of the transformation products have been characterized using x-ray diffraction, and scanning and transmission electron microscopy. The transformed microstructures exhibit strong texture retention similar to the stoichiometric alloy suggesting a massive ordering mode. The alloy has shown a proclivity to exchange couple at a length scale not in agreement with proposed theories of exchange coupling [3,4]. The magnetic properties were measured using standard vibrating sample magnetometry (VSM). This research has been supported by the National Science Foundation (NSF-DMR).

Magnetoresistance ratio up to 330% at room temperature (700% at 10 K) has been obtained in a spin-valve-type magnetic tunnel junction (MTJ) consisting of a full-Heusler alloy Co{sub 2}FeAl electrode and a MgO tunnel barrier fabricated on a single crystal MgO (001) substrate by sputtering method. The output voltage of the MTJ at one-half of the zero-bias value was found to be as high as 425 mV, which is the largest reported to date in MTJs using Heusler alloy electrodes. The present finding suggests that Co{sub 2}FeAl may be one of the most promising candidates for future spintronics devices applications.